1,4-Dioxane
CAS No.: 123-91-1 Formula: C4H8O2 Molecular Weight: 88.10510
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1,4-Dioxane

CAS No.: 123-91-1 Formula: C4H8O2 Molecular Weight: 88.10510
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Description

1,4-Dioxane, often simply called dioxane because the 1,2 and 1,3 isomers of dioxane are rare, is a heterocyclic organic compound. It is a colorless liquid with a faint sweet odor similar to that of diethyl ether. It is classified as an ether. Dioxane is used mainly as a stabilizer for the solvent trichloroethane. It is an occasionally used solvent for a variety of practical applications as well as in the laboratory.

Basic Info

Chemical Name 1,4-Dioxane
Synonyms

DIOXANE, 1,4-; para-dioxane; Diethylene oxide; 1,4-Dioxane; 1,4-Diethylene Dioxide; 1,4-Dioxan; Expand

CAS No. 123-91-1
Molecular Formula C4H8O2
Molecular Weight 88.10510
PSA 18.46000
LogP 0.03320

Properties

Appearance & Physical State Colorless clear liquid
Density 1.033
Boiling Point 101ºC
Melting Point 12ºC
Flash Point 12ºC
Refractive Index 1.4205-1.422
Water Solubility SOLUBLE
Stability Stable. Incompatible with oxidizing agents, oxygen, halogens, reducing agents, moisture. Highly flammable - note wide explosive range. May form explosive peroxides in storage (rate of formation increased by heating, evaporation or exposure to light).
Storage Condition Flammables area
Vapor Density 3 (vs air)
Vapor Pressure 27 mm Hg ( 20 °C)

Safety Info

RTECS JG8225000
Hazard Class 3
Safety Statements S16-S36/37-S46-S9
HS Code 2942000000
Packing Group II
WGK Germany 3
RIDADR UN 1165
Risk Statements R11; R19; R36/37; R40; R66
Hazard Codes F
Signal Word Danger
Hazard Declaration H225; H319; H335; H351
Supplemental Hazard Statements May form explosive peroxides; Repeated exposure may cause skin dryness or cracking.
Caution Statement P210; P261; P281; P305 + P351 + P338
Symbol GHS02, GHS07, GHS08
SDS Version: 1.0 Expand

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 10, 2017

Revision Date: Aug 10, 2017

1.Identification

1.1 GHS Product identifier

Product name 1,4-Dioxane

1.2 Other means of identification

Product number -
Other names DIOXANE, 1,4-

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only. 1,4-Dioxane is used as a solvent for cellulose acetate, ethyl cellulose, benzyl cellulose, resins, oils, waxes, some dyes, and other organic and inorganic 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

Eye irritation, Category 2

Specific target organ toxicity – single exposure, Category 3

Carcinogenicity, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H225 Highly flammable liquid and vapour

H319 Causes serious eye irritation

H335 May cause respiratory irritation

H351 Suspected of causing cancer

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.

P261 Avoid breathing dust/fume/gas/mist/vapours/spray.

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

P201 Obtain special instructions before use.

P202 Do not handle until all safety precautions have been read and understood.

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.

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

P337+P313 If eye irritation persists: Get medical advice/attention.

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

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

P308+P313 IF exposed or concerned: Get medical advice/ attention.

Storage

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

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

P405 Store locked up.

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
1,4-Dioxane 1,4-Dioxane 123-91-1 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. Refer immediately for medical attention.

In case of skin contact

Remove contaminated clothes. Rinse skin with plenty of water or shower.

In case of eye contact

Rinse with plenty of water for several minutes (remove contact lenses if easily possible).

If swallowed

Rinse mouth. Do NOT induce vomiting. Seek medical attention if you feel unwell.

4.2 Most important symptoms/effects, acute and delayed

No significant irritation from brief exposure of skin; prolonged or repeated exposure may cause a rash or burn and absorption of toxic amounts leading to serious injury of liver and kidney. Chemical has poor warning properties; illness may be delayed. Moderately irritating to eyes; overexposure may cause corneal injury. (USCG, 1999)

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

Exposures of the eye... must be flushed immediately with water. Likewise, any clothing that becomes contaminated with dioxane should be removed and contaminated skin irrigated with soap and water.

5.Fire-fighting measures

5.1 Extinguishing media

Suitable extinguishing media

Approach fire from upwind to avoid hazardous vapors and toxic decomposition products. Use water spray, dry chemical. "alcohol resistant" foam, or carbon dioxide. Use water spray to keep fire-exposed containers cool.

5.2 Specific hazards arising from the chemical

Special Hazards of Combustion Products: Toxic vapors are generated when heated. Behavior in Fire: Vapor is heavier than air and may travel to a source of ignition and flash back. (USCG, 1999)

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

Personal protection: filter respirator for organic gases and vapours adapted to the airborne concentration of the substance. Collect leaking liquid in sealable air tight containers. Absorb remaining liquid in sand or inert absorbent. Then store and dispose of according to local regulations. Do NOT wash away into sewer.

6.3 Methods and materials for containment and cleaning up

1) Remove all ignition sources. 2) ventilate area of spill or leak. 3) for small quantities, absorb on paper towels. Evaporate in safe place (such as flame hood). Allow ... to completely clear hood ductwork. Burn in suitable location away from combustible materials. Large quantities can be collected and atomized in suitable combustion chamber equipped with appropriate effluent gas cleaning device. Dioxane should not be allowed to enter confined space, such as sewer. ...

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 acids and incompatible materials. Cool. Dry. Well closed. Keep in the dark. Store only if stabilized. Store in an area without drain or sewer access.Store in a cool, dry, well-ventilated location. Store away from heat, oxidizing materials, and sunlight. Outside or detached storage is preferred. Inside storage should be in a standard flammable liquids storage warehouse, room, or cabinet.

8.Exposure controls/personal protection

8.1 Control parameters

Occupational Exposure limit values

NIOSH considers dioxane to be a potential occupational carcinogen.

NIOSH usually recommends that occupational exposures to carcinogens be limited to the lowest feasible concentration.

Recommended Exposure Limit: 30 Minute Ceiling value: 1 ppm (3.6 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 Colorless clear liquid
Colour Colorless liquid or solid (below 53 degrees F)
Odour Faint pleasant odor
Melting point/ freezing point -37°C(lit.)
Boiling point or initial boiling point and boiling range 100-102°C(lit.)
Flammability Class IB Flammable Liquid: Fl.P. below 22.78°C and BP at or above 37.78°C.Highly flammable. Gives off irritating or toxic fumes (or gases) in a fire.
Lower and upper explosion limit / flammability limit LOWER: 2.0%; UPPER: 22%
Flash point 12°C
Auto-ignition temperature 180°C
Decomposition temperature no data available
pH no data available
Kinematic viscosity 0.0120 centipoise at 25°C
Solubility In water:SOLUBLE
Partition coefficient n-octanol/water (log value) log Kow = -0.27
Vapour pressure 27 mm Hg ( 20 °C)
Density and/or relative density 1.034g/mLat 25°C(lit.)
Relative vapour density 3 (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. Test for peroxide formation before distillation or evaporation. Test for peroxide formation or discard after 1 year. Stable under recommended storage conditions.

10.3 Possibility of hazardous reactions

A very dangerous fire and explosion hazard when exposed to heat or flame.The vapour is heavier than air and may travel along the ground; distant ignition possible.DIOXANE is a flammable liquid; when exposed to air it undergoes autooxidation with formation of peroxides. In the distillation process peroxides will concentrate causing violent explosion. The addition complex with sulfur trioxide (1:1) sometimes decomposes violently on storing at room temperature [Sisler, H. H. et al., Inorg. Synth., 1947, 2, p. 174]. Evaporation of boron trifluoride in aqueous dioxane with nitric acid led to an explosion upon addition of perchloric acid [MCA Guide, 1972, p. 312]. Explosive reaction with Raney nickel catalyst above 210° C {Mozingo R., Org. Synth., 1955, Coll. Vol. 3, p. 182].

10.4 Conditions to avoid

no data available

10.5 Incompatible materials

Pure, dry, o- and hydroperoxide-free dioxane rapidly forms hydroperoxide on contact with air.

10.6 Hazardous decomposition products

When heated to decomposition it emits acrid smoke and irritating fumes.

11.Toxicological information

Acute toxicity

  • Oral: LD50 Guinea pig oral 3150 mg/kg
  • Inhalation: LC50 Mouse inhalation 37 g/cu m/2 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

NTP: Reasonably anticipated to be a human carcinogen

Reproductive toxicity

No information is available on the reproductive and developmental effects of 1,4-dioxane in humans. No evidence of gross, skeletal, or visceral malformations was found in the offspring of rats exposed via gavage (experimentally placing the chemical in the stomach). Embryotoxicity was observed only at the highest dose.

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); Conditions: freshwater, static bioassay, 23°C, mild aeration applied after 24 hr; Concentration: 10,000 ppm for 96 hr
  • Toxicity to daphnia and other aquatic invertebrates: EC50; Species: Daphnia magna (Water flea); Concentration: 4,700 mg/L for 24 hr (nominal concentration); Effect: immobility /Conditions of bioassay not specified in source examined/ /from table
  • Toxicity to algae: no data available
  • Toxicity to microorganisms: no data available

12.2 Persistence and degradability

AEROBIC: 1,4-Dioxane, present at 100 mg/L, reached 0% of its theoretical BOD in 2 weeks using an activated sludge inoculum at 30 mg/L in the Japanese MITI test which classified the compound as not readily biodegradable(1). Using OECD Guideline 301F (Ready Biodegradability: Manometric Respirometry Test) with a non-adapted activated sludge inoculum, 1,4-dioxane degraded <10% over a 29-day incubation period at an initial concentration of 100 mg/L(2). Using OECD Guideline 310 (Ready Biodegradability, CO2 in sealed vessels) with a non-adapted activated sludge inoculum, 1,4-dioxane (at 37.1 mg/L) had <5% degradation (via CO2 evolution) over a 60-day incubation period which classified the compound as poorly biodegradable(2). Other screening studies have found 1,4-dioxane to be resistant to biodegradation(3-6). 1,4-Dioxane (100 mg/L) was not biodegraded within 120 days using microcosms prepared with 20 grams of Nodeway soil and 200 mL of basal salt medium, and was considered recalcitrant in the environment(7). Possibly due to its strong internal chemical bonding, 1,4-dioxane is considered non-biodegradable under conventional bio-treatment technologies based on results of wastewater treatment monitoring data(8). To evaluate the biodegradation potential of 1,4-dioxane in natural environments, a total of 20 environmental samples including river water, activated sludge, soil from the drainage area of a chemical factory and garden soil were subjected to a 1,4-dioxane degradation test(9); 14 of the 20 samples were not able to degrade 1,4-dioxane(9); however, soil samples from the drainage area of a chemical factory were able to degrade 1,4-dioxane (at 100 mg/L) to <0.8 mg/L within 33 days, presumably due to adaptation(9).

12.3 Bioaccumulative potential

Using OECD Guideline 305C (Bioaccumulation: Test for the Degree of Bioconcentration in Fish) with 1 and 10 ppm concentrations 1,4-dioxane, BCF values of 0.2-0.7 were measured using carp (Cyprinus carpio) which were exposed over a 6-week period(1). According to a classification scheme(2), these BCF values suggest the potential for bioconcentration in aquatic organisms is low(SRC).

12.4 Mobility in soil

Using a soil adsorption coefficient (Kd) of 0.17 for 1,4-dioxane measured in a grey clay soil (45% clay, 43% silt, 10% sand) obtained from a landfill site in Ontario, Canada(1), a Koc value of 29 can be derived(SRC) using the soil's organic carbon content of 0.58%(1). A measured Koc value of 17 has also been reported for 1,4-dioxane(2). According to a classification scheme(3), these Koc values suggest that 1,4-dioxane is expected to have very high mobility in soil(SRC).

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: UN1165 IMDG: UN1165 IATA: UN1165

14.2 UN Proper Shipping Name

ADR/RID: DIOXANE
IMDG: DIOXANE
IATA: DIOXANE

14.3 Transport hazard class(es)

ADR/RID: 3 IMDG: 3 IATA: 3

14.4 Packing group, if applicable

ADR/RID: II IMDG: II IATA: II

14.5 Environmental hazards

ADR/RID: no IMDG: no IATA: no

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
1,4-Dioxane 1,4-Dioxane 123-91-1 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 10, 2017
Revision Date Aug 10, 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.
MSDS Expand
1H NMR : parameter in CDCl3Expand

NMR Spectrum 1H NMR : parameter in CDCl3

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C4 H8 O2 0.02 ml : 0.5 ml CDCl3
1,4-dioxane

Parameter ppm Hz
D(A) 3.692

IR : liquid filmExpand
Mass Expand
Raman : 4880 A,100M,liquidExpand
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