Acrolein
CAS No.: 107-02-8 Formula: C3H4O Molecular Weight: 56.06330

Acrolein

CAS No.: 107-02-8 Formula: C3H4O Molecular Weight: 56.06330
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Description

Acrolein (systematic name: propenal) is the simplest unsaturated aldehyde. It is a colourless liquid with a piercing, disagreeable, acrid smell. The smell of burnt fat (as when cooking oil is heated to its smoke point) is caused by glycerol in the burning fat breaking down into acrolein. It is produced industrially from propylene and mainly used as a biocide and a building block to other chemical compounds, such as the amino acid methionine.

Basic Info

Chemical Name Acrolein
Synonyms

acraldehyde; acrylaldehyde; 2-Propenal;

CAS No. 107-02-8
Molecular Formula C3H4O
Molecular Weight 56.06330
PSA 17.07000
LogP 0.37130

Properties

Appearance & Physical State colourless to slightly yellow liquid
Density 0.8389
Boiling Point 52.7ºC
Melting Point -87.7ºC
Flash Point -26ºC
Refractive Index 1.402
Water Solubility Soluble. 21.25 g/100 mL
Stability Stable, but very readily polymerizes. May have ca. 0.1% hydroquinone added as stabilizer. Flammable. Incompatible with oxidizing agents, reducing agents, oxygen, a variety of other chemicals, light. Very reactive with a wide variety of chemicals. May polym
Storage Condition 2-8ºC
Vapor Density 1.94 (vs air)
Vapor Pressure 4.05 psi ( 20 °C)

Safety Info

RTECS AS1050000
Hazard Class 6.1
Safety Statements S23-S26-S28-S36/37/39-S45-S61
HS Code 2912190030
WGK Germany 3
Packing Group I
RIDADR UN 1092
Risk Statements R11; R24/25; R26; R34; R50
Hazard Codes F
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SDS Version: 1.0

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SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name Acrolein

1.2 Other means of identification

Product number -
Other names acraldehyde

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only. Volatile organic compounds
Uses advised against no data available

1.4 Supplier's details

Company XiXisys.com
Address XiXisys.com
Telephone XiXisys.com
Fax XiXisys.com

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

2.Hazard identification

2.1 Classification of the substance or mixture

Flammable liquids, Category 2

Acute toxicity - Oral, Category 2

Acute toxicity - Dermal, Category 3

Skin corrosion, Category 1B

Acute toxicity - Inhalation, Category 1

Hazardous to the aquatic environment, short-term (Acute) - Category Acute 1

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H225 Highly flammable liquid and vapour

H300 Fatal if swallowed

H311 Toxic in contact with skin

H314 Causes severe skin burns and eye damage

H330 Fatal if inhaled

H410 Very toxic to aquatic life with long lasting effects

Precautionary statement(s)
Prevention

P210 Keep away from heat, hot surfaces, sparks, open flames and other ignition sources. No smoking.

P233 Keep container tightly closed.

P240 Ground and bond container and receiving equipment.

P241 Use explosion-proof [electrical/ventilating/lighting/...] equipment.

P242 Use non-sparking tools.

P243 Take action to prevent static discharges.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

P260 Do not breathe dust/fume/gas/mist/vapours/spray.

P271 Use only outdoors or in a well-ventilated area.

P284 [In case of inadequate ventilation] wear respiratory protection.

P273 Avoid release to the environment.

Response

P303+P361+P353 IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water [or shower].

P370+P378 In case of fire: Use ... to extinguish.

P301+P310 IF SWALLOWED: Immediately call a POISON CENTER/doctor/…

P321 Specific treatment (see ... on this label).

P330 Rinse mouth.

P302+P352 IF ON SKIN: Wash with plenty of water/...

P312 Call a POISON CENTER/doctor/…if you feel unwell.

P361+P364 Take off immediately all contaminated clothing and wash it before reuse.

P301+P330+P331 IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.

P363 Wash contaminated clothing before reuse.

P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing.

P310 Immediately call a POISON CENTER/doctor/…

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

P320 Specific treatment is urgent (see ... on this label).

P391 Collect spillage.

Storage

P403+P235 Store in a well-ventilated place. Keep cool.

P405 Store locked up.

P403+P233 Store in a well-ventilated place. Keep container tightly closed.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

3.Composition/information on ingredients

3.1 Substances

Chemical name Common names and synonyms CAS number EC number Concentration
Acrolein Acrolein 107-02-8 none 100%

4.First-aid measures

4.1 Description of necessary first-aid measures

General advice

Consult a physician. Show this safety data sheet to the doctor in attendance.

If inhaled

Fresh air, rest. Half-upright position. Refer for medical attention.

In case of skin contact

Remove contaminated clothes. Rinse skin with plenty of water or shower. Refer for medical attention .

In case of eye contact

First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.

If swallowed

Rinse mouth. Do NOT induce vomiting. Refer for medical attention .

4.2 Most important symptoms/effects, acute and delayed

Extremely toxic; probable oral human lethal dose is 5-50 mg/kg, between 7 drops and one teaspoon for a 70 kg (150 lb.) person. Inhalation of air containing 10 ppm of acrolein may be fatal in a few minutes. Death from cardiac failure accompanied by hyperemia and hemorrhage of the lungs and degeneration of the bronchial epithelium is possible. Acrolein causes acute respiratory and eye irritation; severe gastrointestinal distress with slowly developing pulmonary edema (lungs fill up with fluid); and skin irritation. (EPA, 1998)

4.3 Indication of immediate medical attention and special treatment needed, if necessary

Immediate first aid: Ensure that adequate decontamination has been carried out. If patient is not breathing, start artificial respiration, preferably with a demand-valve resuscitator, bag-valve-mask device, or pocket mask, as trained. Perform CPR if necessary. Immediately flush contaminated eyes with gently flowing water. Do not induce vomiting. If vomiting occurs, lean patient forward or place on left side (head-down position, if possible) to maintain an open airway and prevent aspiration. Keep patient quiet and maintain normal body temperature. Obtain medical attention. /Acrolein and related compounds/

5.Fire-fighting measures

5.1 Extinguishing media

Suitable extinguishing media

Suitable extinguishing media: Use water spray, alcohol-resistant foam, dry chemical, or carbon dioxide.

5.2 Specific hazards arising from the chemical

Under fire conditions, polymerization may occur. If inside a container, violent rupture of the container may take place. When heated to decomposition, it emits highly toxic fumes. Alkalis or strong acids act as catalysts, causing a condensation reaction and liberating energy. Reaction may be very rapid and violent. Readily converted by oxygen to hazardous peroxides and acids. Unstable, avoid exposure to alkalis, strong acids, oxygen, elevated temperatures, such as fire conditions. (Polymerization inside container could cause violent rupture of container under fire conditions.) (EPA, 1998)

5.3 Special protective actions for fire-fighters

Wear self-contained breathing apparatus for firefighting if necessary.

6.Accidental release measures

6.1 Personal precautions, protective equipment and emergency procedures

Use personal protective equipment. Avoid dust formation. Avoid breathing vapours, mist or gas. Ensure adequate ventilation. Evacuate personnel to safe areas. Avoid breathing dust. For personal protection see section 8.

6.2 Environmental precautions

Evacuate danger area! Consult an expert! Personal protection: chemical protection suit including self-contained breathing apparatus. Remove all ignition sources. Do NOT let this chemical enter the environment. Collect leaking and spilled liquid in covered containers as far as possible. Absorb remaining liquid in sand or inert absorbent. Then store and dispose of according to local regulations.

6.3 Methods and materials for containment and cleaning up

ACCIDENTAL RELEASE MEASURES: Personal precautions, protective equipment and emergency procedures: Wear respiratory protection. Avoid breathing vapors, mist or gas. Ensure adequate ventilation. Remove all sources of ignition. Evacuate personnel to safe areas. Beware of vapors accumulating to form explosive concentrations. Vapors can accumulate in low areas. Environmental precautions: Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Discharge into the environment must be avoided. Methods and materials for containment and cleaning up: Contain spillage, and then collect with an electrically protected vacuum cleaner or by wet-brushing and place in container for disposal according to local regulations.

7.Handling and storage

7.1 Precautions for safe handling

Avoid contact with skin and eyes. Avoid formation of dust and aerosols. Avoid exposure - obtain special instructions before use.Provide appropriate exhaust ventilation at places where dust is formed. For precautions see section 2.2.

7.2 Conditions for safe storage, including any incompatibilities

Fireproof. Separated from strong oxidants, strong bases, strong acids and food and feedstuffs. Cool. Ventilation along the floor. Store only if stabilized.Keep container tightly closed in a dry and well-ventilated place. Containers which are opened must be carefully resealed and kept upright to prevent leakage. Recommended storage temperature 2 - 8°C. Store under inert gas. Handle and open container with care. Light sensitive. Heat- and air-sensitive. Storage class (TRGS 510): Flammable liquids.

8.Exposure controls/personal protection

8.1 Control parameters

Occupational Exposure limit values

Recommended Exposure Limit: 10 Hr Time-Weighted Avg: 0.1 ppm (0.25 mg/cu m).

Recommended Exposure Limit: 15 Min Short-Term Exposure Limit: 0.3 ppm (0.8 mg/cu m).

Biological limit values

no data available

8.2 Appropriate engineering controls

Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and at the end of workday.

8.3 Individual protection measures, such as personal protective equipment (PPE)

Eye/face protection

Safety glasses with side-shields conforming to EN166. Use equipment for eye protection tested and approved under appropriate government standards such as NIOSH (US) or EN 166(EU).

Skin protection

Wear impervious clothing. The type of protective equipment must be selected according to the concentration and amount of the dangerous substance at the specific workplace. Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique(without touching glove's outer surface) to avoid skin contact with this product. Dispose of contaminated gloves after use in accordance with applicable laws and good laboratory practices. Wash and dry hands. The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and the standard EN 374 derived from it.

Respiratory protection

Wear dust mask when handling large quantities.

Thermal hazards

no data available

9.Physical and chemical properties

Physical state colourless to slightly yellow liquid
Colour Colorless or yellowish liquid
Odour Extremely sharp; extremely acrid, pungent, burnt sweet; hot fat
Melting point/ freezing point -87.7ºC
Boiling point or initial boiling point and boiling range 52.7ºC
Flammability Class IB Flammable Liquid: Fl.P. below 22.78°C and BP at or above 37.78°C.Highly flammable.
Lower and upper explosion limit / flammability limit Lower flammable limit: 2.8% by volume; Upper flammable limit: 31% by volume
Flash point -26ºC
Auto-ignition temperature 233.89°C (USCG, 1999)
Decomposition temperature no data available
pH pH 6.0 (max), a 10% solution in water at 25°C
Kinematic viscosity 0.35 cP at 20°C
Solubility In water:Soluble. 21.25 g/100 mL
Partition coefficient n-octanol/water (log value) log Kow = -0.01
Vapour pressure 4.05 psi ( 20 °C)
Density and/or relative density 0.8389
Relative vapour density 1.94 (vs air)
Particle characteristics no data available

10.Stability and reactivity

10.1 Reactivity

no data available

10.2 Chemical stability

Stable under recommended storage conditions.

10.3 Possibility of hazardous reactions

Dangerous fire hazard when exposed to heat, flame, or oxidizers.The vapour is heavier than air and may travel along the ground; distant ignition possible.ACROLEIN can react violently with oxidizing agents. Polymerizes exothermically on contact with small amounts of acids (including sulfur dioxide), alkalis, volatile amines and pyridines, salts, thiourea, oxidizing agents (air) and on exposure to light and heat. Polymerization initiated by amines and pyridines occurs after a deceptive induction period. Water solutions of mineral acids and metal ions can initiate polymerization. The inhibitor (usually hydroquinone) greatly reduces tendency to polymerize. Undergoes Diels-Alder reaction with itself to give acrolein dimer. This can become a runaway reaction at 90°C [Kirk-Othmer, 4th Ed, Vol. 1]. Mixing in equal molar portions with any of the following substances in a closed container caused the temperature and pressure to increase: 2-aminoethanol, ammonium hydroxide, chlorosulfonic acid, ethylenediamine, ethyleneimine [NFPA 1991].

10.4 Conditions to avoid

no data available

10.5 Incompatible materials

Incompatible materials: Oxidizing agents, oxygen, bases, strong acids.

10.6 Hazardous decomposition products

Hazardous decomposition products formed under fire conditions - Carbon oxides.

11.Toxicological information

Acute toxicity

  • Oral: LD50 Rat oral 46 mg/kg
  • Inhalation: LC50 Mouse inhalation 66 ppm/6 hr
  • Dermal: no data available

Skin corrosion/irritation

no data available

Serious eye damage/irritation

no data available

Respiratory or skin sensitization

no data available

Germ cell mutagenicity

no data available

Carcinogenicity

Under the Draft Revised Guidelines for Carcinogen Risk Assessment (U.S. EPA, 1999), the potential carcinogenicity of acrolein cannot be determined because the existing "data are inadequate for an assessment of human carcinogenic potential for either the oral or inhalation route of exposure." There are no adequate human studies of the carcinogenic potential of acrolein. Collectively, experimental studies provide inadequate evidence that acrolein causes cancer in laboratory animals. Specifically, two inhalation bioassays in laboratory animals are inadequate to make a determination because of protocol limitations. Two gavage bioassays failed to show an acrolein-induced tumor response in 2 species of laboratory animals. Suggestive evidence of an extra-thoracic tumorigenic response in a drinking water study in female rats was not supported in the reanalysis of data by an independently-convened pathology working group. Questions were also raised about the accuracy of the reported levels of acrolein in the drinking water from this study. A skin tumor initiation-promotion study was negative, and the findings from an intraperitoneal injection study were of uncertain significance. Although acrolein has been shown to be capable of inducing sister chromatid exchange, DNA cross-linking and mutations under certain conditions, its highly reactive nature and the lack of tumor induction at portals of entry make it unlikely that acrolein reaches systemic sites at biologically-significant exposure levels. The observations of positive mutagenic results in bacterial systems occurred at high concentrations near the lethal dose. This evaluation replaces the cancer assessment for acrolein added to the IRIS database in 1988. Under the Risk Assessment Guidelines of 1986 (EPA/600/8-87/045) applied at that time, acrolein was classified as a possible human carcinogen (Category C). The 1988 classification for acrolein was based on the increased incidence of adrenal cortical adenomas in female rats and carcinogenic potential of an acrolein metabolite, its mutagenicity in bacteria, and its structural relationship to probable or known human carcinogens. The updated cancer characterization considered new study results and reevaluated previous studies.

Reproductive toxicity

No information is available on the reproductive effects of acrolein in humans. In available reproductive animal studies, rats exposed to 0.55 to 4 ppm (1.3 - 9.2 milligrams per cubic meter) of acrolein by inhalation, showed no effects on the number of pregnancies, the number and weights of the fetuses, or the overall reproductive fitness of the animals. No studies were located regarding developmental effects in humans or animals after inhalation exposure to acrolein.

STOT-single exposure

no data available

STOT-repeated exposure

no data available

Aspiration hazard

no data available

12.Ecological information

12.1 Toxicity

  • Toxicity to fish: LC50; Species: Lepomis macrochirus (Bluegill sunfish) fingerling, length 26.2 mm; Conditions: freshwater, flow through, 15.6°C, pH 7.7-8.0, hardness 71.4-81.7 mg/L CaCO3, alkalinity 52-61 mg/L CaCO3, dissolved oxygen 7.7-8.0 mg/L; Concentration: 79 ug/L for 24 hr /formulated product
  • Toxicity to daphnia and other aquatic invertebrates: LC50; Species: Daphnia magna (Water flea); Concentration: 0.23 mg/L for 24 hr /Conditions of bioassay not specified
  • Toxicity to algae: EC50; Species: Pseudokirchneriella subcapitata (Green algae); Conditions: freshwater, static; Concentration: 50 ug/L for 5 days (95% confidence interval: 45-55 ug/L); Effect: population, abundance /95.03% purity
  • Toxicity to microorganisms: no data available

12.2 Persistence and degradability

AEROBIC: The half-life of acrolein in natural unsterilized water was 29 hours compared with 43 hours in sterilized (thymol-treated) water suggesting that biodegradation was partially responsible for the degradation(1). A loss of 100% was observed when 5 and 10 mg/L acrolein underwent a static incubation in the dark at 25°C with sewage inoculum for 7 days(2). In another experiment, acrolein reached 30% of its theoretical BOD in river water after 100 hrs(3). It has been reported that acrolein is metabolized easily in soil, being mineralized to carbon dioxide(4). Results of other biodegradation screening studies also indicate that acrolein would be readily degraded by mixed microbial populations(5-7). In contrast, no BOD removal was observed during a 5-day BOD dilution test in which effluent from a biological waste treatment plant was used(8). Acrolein, present at 100 mg/L, reached 0% of its theoretical BOD in 4 weeks using an activated sludge inoculum at 30 mg/L in the Japanese MITI test, however, the acrolein formed 3-hydroxypropanal in the water(9) which is the hydration reaction product of acrolein in water(10). Field and laboratory studies using irrigation channels suggested that the degradation of the hydration product of acrolein, 3-hydroxypropanal, occurs after the concentration of acrolein falls below 2-3 ppm. The degradation of 3-hydroxypropanal was also preceded by a 100-hour lag period, suggesting that biodegradation was occurring through the action of acclimated cultures(11). In a laboratory study conducted in an aerobic sandy loam soil from Phoenix AZ, acrolein was completely gone within 8 hours in the nonsterile soils and within 115 hours in the sterilized soil. The biotransformation half-life in the nonsterile soil was calculated to be 4.2 hours and four products/intermediates were identified: acrylic acid, 3-hydroxypropionic acid, 3-hydroxypropanal, and CO2(12). Transformation products (acrylic acid, 3-hydroxypropionic acid) were also readily biotransformed and were presumably converted to CO2 with a half-life of 29 days(12).

12.3 Bioaccumulative potential

An estimated BCF of 3 was calculated in fish for acrolein(SRC), using a log Kow of -0.01(1) and a regression-derived equation(2). According to a classification scheme(3), this BCF suggests the potential for bioconcentration in aquatic organisms is low(SRC). Results of BCF tests using carp (Cyprinus carpio) which were exposed to acrolein over an 8-week indicate the compound has low bioconcentration(4), however, actual BCF values were not reported(SRC). A log BCF of 2.54 (BCF = 347) was measured for acrolein in a bluegill sunfish based on the whole body weight(5). In another study, a BCF of 344 was measured for acrolein in bluegill sunfish(6). However, these measured values may be an overestimate since total (14)C was measured in the fish, which may have resulted in the measurement of acrolein metabolites(7).

12.4 Mobility in soil

Using a structure estimation method based on molecular connectivity indices(1), the Koc of acrolein can be estimated to be 1.0(SRC). According to a classification scheme(2), this estimated Koc value suggests that acrolein is expected to have very high mobility in soil.

12.5 Other adverse effects

no data available

13.Disposal considerations

13.1 Disposal methods

Product

The material can be disposed of by removal to a licensed chemical destruction plant or by controlled incineration with flue gas scrubbing. Do not contaminate water, foodstuffs, feed or seed by storage or disposal. Do not discharge to sewer systems.

Contaminated packaging

Containers can be triply rinsed (or equivalent) and offered for recycling or reconditioning. Alternatively, the packaging can be punctured to make it unusable for other purposes and then be disposed of in a sanitary landfill. Controlled incineration with flue gas scrubbing is possible for combustible packaging materials.

14.Transport information

14.1 UN Number

ADR/RID: UN1092 IMDG: UN1092 IATA: UN1092

14.2 UN Proper Shipping Name

ADR/RID: ACROLEIN, STABILIZED
IMDG: ACROLEIN, STABILIZED
IATA: ACROLEIN, STABILIZED

14.3 Transport hazard class(es)

ADR/RID: 6.1 IMDG: 6.1 IATA: 6.1

14.4 Packing group, if applicable

ADR/RID: I IMDG: I IATA: I

14.5 Environmental hazards

ADR/RID: yes IMDG: yes IATA: yes

14.6 Special precautions for user

no data available

14.7 Transport in bulk according to Annex II of MARPOL 73/78 and the IBC Code

no data available

15.Regulatory information

15.1 Safety, health and environmental regulations specific for the product in question

Chemical name Common names and synonyms CAS number EC number
Acrolein Acrolein 107-02-8 none
European Inventory of Existing Commercial Chemical Substances (EINECS) Listed.
EC Inventory Listed.
United States Toxic Substances Control Act (TSCA) Inventory Listed.
China Catalog of Hazardous chemicals 2015 Listed.
New Zealand Inventory of Chemicals (NZIoC) Listed.
Philippines Inventory of Chemicals and Chemical Substances (PICCS) Listed.
Vietnam National Chemical Inventory Listed.
Chinese Chemical Inventory of Existing Chemical Substances (China IECSC) Listed.

16.Other information

Information on revision

Creation Date Aug 19, 2017
Revision Date Aug 19, 2017

Abbreviations and acronyms

  • CAS: Chemical Abstracts Service
  • ADR: European Agreement concerning the International Carriage of Dangerous Goods by Road
  • RID: Regulation concerning the International Carriage of Dangerous Goods by Rail
  • IMDG: International Maritime Dangerous Goods
  • IATA: International Air Transportation Association
  • TWA: Time Weighted Average
  • STEL: Short term exposure limit
  • LC50: Lethal Concentration 50%
  • LD50: Lethal Dose 50%
  • EC50: Effective Concentration 50%

References

  • IPCS - The International Chemical Safety Cards (ICSC), website: http://www.ilo.org/dyn/icsc/showcard.home
  • HSDB - Hazardous Substances Data Bank, website: https://toxnet.nlm.nih.gov/newtoxnet/hsdb.htm
  • IARC - International Agency for Research on Cancer, website: http://www.iarc.fr/
  • eChemPortal - The Global Portal to Information on Chemical Substances by OECD, website: http://www.echemportal.org/echemportal/index?pageID=0&request_locale=en
  • CAMEO Chemicals, website: http://cameochemicals.noaa.gov/search/simple
  • ChemIDplus, website: http://chem.sis.nlm.nih.gov/chemidplus/chemidlite.jsp
  • ERG - Emergency Response Guidebook by U.S. Department of Transportation, website: http://www.phmsa.dot.gov/hazmat/library/erg
  • Germany GESTIS-database on hazard substance, website: http://www.dguv.de/ifa/gestis/gestis-stoffdatenbank/index-2.jsp
  • ECHA - European Chemicals Agency, website: https://echa.europa.eu/

Disclaimer: The above information is believed to be correct but does not purport to be all inclusive and shall be used only as a guide. The information in this document is based on the present state of our knowledge and is applicable to the product with regard to appropriate safety precautions. It does not represent any guarantee of the properties of the product. We as supplier shall not be held liable for any damage resulting from handling or from contact with the above product.
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