pentan-3-one
CAS No.: 96-22-0 Formula: C5H10O Molecular Weight: 86.13230
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pentan-3-one

CAS No.: 96-22-0 Formula: C5H10O Molecular Weight: 86.13230
Suppliers: All (49) China Suppliers (49) Price Available (10) Contractor (1)

Description

3-Pentanone (also known as diethyl ketone) is a simple, symmetrical dialkyl ketone. It is a colorless liquid ketone with an odor like that of acetone. It is soluble in about 25 parts water, but miscible with organic solvents. It is mainly used as a solvent in paint and a precursor to vitamin E. It is easily soluble in diethyl ether and partially soluble in acetone, methanol, and water. Two related and more important ketones are 2-pentanone and methyl isopropyl ketone.

Properties

Appearance & Physical State colorless to pale yellow liquid
Density 0.815
Boiling Point 100-102ºC
Melting Point -40ºC
Flash Point 13ºC
Refractive Index 1.391-1.393
Water Solubility 50 g/L (20 ºC)
Stability Stable. Highly flammable. Readily forms explosive mixtures with air. Incompatible with strong bases, reducing agents, strong oxidizing agents.
Storage Condition Flammables area
Vapor Density 3 (vs air)
Vapor Pressure 20 mm Hg ( 28 °C)

Safety Info

RTECS SA8050000
Hazard Class 3
Safety Statements S16-S25-S33-S9
HS Code 2914190090
Packing Group II
WGK Germany 1
RIDADR UN 1156
Risk Statements R11; R37; R66; R67
Hazard Codes F
Caution Statement P210; P305 + P351 + P338; P370 + P378; P403 + P235
Supplemental Hazard Statements Repeated exposure may cause skin dryness or cracking.
Symbol GHS02, GHS07
Hazard Declaration H225; H319; H335; H336
Signal Word Danger
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SDS 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 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name pentan-3-one

1.2 Other means of identification

Product number -
Other names dimethyl acetal of 3-hydroxyisovaleric aldehyde

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only. Food additives -> Flavoring Agents
Uses advised against no data available

1.4 Supplier's details

Company MOLBASE (Shanghai) Biotechnology Co., Ltd.
Address Floor 4 & 5, Building 12, No. 1001 North Qinzhou Road,
Xuhui District, Shanghai, China
Telephone +86(21)64956998
Fax +86(21)54365166

1.5 Emergency phone number

Emergency phone number +86-400-6021-666
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

Specific target organ toxicity – single exposure, Category 3

Specific target organ toxicity – single exposure, Category 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H225 Highly flammable liquid and vapour

H335 May cause respiratory irritation

H336 May cause drowsiness or dizziness

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.

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

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

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.

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

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

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
pentan-3-one pentan-3-one 96-22-0 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 for medical attention.

In case of skin contact

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

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.

4.2 Most important symptoms/effects, acute and delayed

Liquid causes eye burn. Vapor irritates eyes, nose and throat; can cause headache, dizziness, nausea, weakness, and loss of consciousness. (USCG, 1999)

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

INHALATION. Symptoms: Cough. Shortness of breath. First aid: Fresh air, rest. Refer for medical attention. SKIN: Symptoms: Dry skin. Redness. First aid: Remove contaminated clothes. Rinse skin with plenty of water or shower. EYES: Symptoms: Redness. First aid: First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then take to a doctor. INGESTION: First aid: Rinse mouth.

5.Fire-fighting measures

5.1 Extinguishing media

Suitable extinguishing media

In case of fire: keep drums, etc., cool by spraying with water. AFFF, alcohol-resistant foam, powder, carbon dioxide.

5.2 Specific hazards arising from the chemical

Excerpt from ERG Guide 127 [Flammable Liquids (Water-Miscible)]: HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. Vapors may form explosive mixtures with air. Vapors may travel to source of ignition and flash back. Most vapors are heavier than air. They will spread along ground and collect in low or confined areas (sewers, basements, tanks). Vapor explosion hazard indoors, outdoors or in sewers. Those substances designated with a (P) may polymerize explosively when heated or involved in a fire. Runoff to sewer may create fire or explosion hazard. Containers may explode when heated. Many liquids are lighter than water. (ERG, 2016)

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. Ventilation. Collect leaking and spilled liquid in sealable metal (mild steel) containers as far as possible. 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

Evacuate and restrict persons not wearing protective equipment from area of spill or leak until cleanup is complete. Remove all ignition sources. Establish forced ventilation to keep levels below explosive limit. Absorb liquids in vermiculite, dry sand, earth, peat, carbon, or similar material and deposit in sealed containers. Keep this chemical out of a comfined space ... because of the possibility of an explosion ... It may be necessary to contain and dispose of this chemical as a hazardous waste. If material or contaminated runoff enters waterways, notify downstream users of potentially contaminated waters. Contact your Department of Environmental Protection or your regional office of the federal EPA for specific recommendations. If employees are required to clean up spills, they must be properly trained and equipped. OSHA 1910.120(q) may be applicable.

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 oxidants.Diethyl ketone must be stored to avoid contact with oxidizing materials (such as peroxides, perchlorates, chlorates, permanganates, and nitrates) Since violent reactions may occur. Store in tightly closed containers in a cool, well ventilated area away from sources of heat. Sources of ignition such as smoking and open flames are prohibited where diethyl ketone is handled, used or stored in a manner that could create a potential fire or explosion hazard. Metal containers involving the transfer of 5 gallons or more of diethyl ketone should be grounded and bonded. Drums must be equipped with self-closing valves, pressure vacuum bungs, and flame arresters. Use only non-sparking tools and equipment, especially when opening and closing containers of diethyl ketone. Wherever this diethyl ketone is used, handled, manufactured, or stored, use explosion-proof electrical equipment and fittings.

8.Exposure controls/personal protection

8.1 Control parameters

Occupational Exposure limit values

Recommended Exposure Limit: 10 Hr Time-Weighted Avg: 200 ppm (705 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 to pale yellow liquid
Colour Colorless, mobile liquid
Odour Acetone odor
Melting point/ freezing point 357°C(lit.)
Boiling point or initial boiling point and boiling range 101.5°C(lit.)
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: 1.6% by volume; Upper flammable limit: 6.4% by volume
Flash point 7°C
Auto-ignition temperature 451.67°C
Decomposition temperature no data available
pH no data available
Kinematic viscosity 0.444 mPa s at 25°C
Solubility In water:50 g/L (20 ºC)
Partition coefficient n-octanol/water (log value) log Kow = 0.99
Vapour pressure 20 mm Hg ( 28 °C)
Density and/or relative density 0.813g/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.

10.3 Possibility of hazardous reactions

Dangerous fire hazard when exposed to heat or flame ...The vapour is heavier than air and may travel along the ground; distant ignition possible. The vapour mixes well with air, explosive mixtures are easily formed.DIETHYL KETONE is incompatible with the following: Strong oxidizers, alkalis, mineral acids, (hydrogen peroxide + nitric acid) (NIOSH, 2016).

10.4 Conditions to avoid

no data available

10.5 Incompatible materials

Violent reaction with oxidizers, causing fire and explosion hazard. Forms explosive mixture with air. Incompatible with strong acids, aliphatic amines. Attacks many plastics, rubber and coatings. May accumulate static electrical charges, and may cause ignition of its vapors.

10.6 Hazardous decomposition products

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

11.Toxicological information

Acute toxicity

  • Oral: LD50 Rat oral 2.14 g/kg
  • Inhalation: no data available
  • 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

no data available

Reproductive toxicity

no data available

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 Pimephales promelas (fathead minnow) 27-28 days old 1540 mg/L/96 hr (confidence limit: 1470-1600 mg/L) at 24.2°C (hardness 46.2 mg/L calcium carbonate, pH 7.88) /Purity 98%; Conditions of bioassay not specified
  • Toxicity to daphnia and other aquatic invertebrates: no data available
  • Toxicity to algae: LC50 Scenedesmus subspicatus (algae) = >500 mg/L/72 hours /Conditions of bioassay not specified
  • Toxicity to microorganisms: no data available

12.2 Persistence and degradability

AEROBIC: Several investigators have shown that diethyl ketone readily biodegrades in screening tests using sewage or sludge(1-5). Using a standard BOD dilution technique and acclimated sewage inocula, a BOD of 66.4%(1) and 89%(2) of theoretical was observed over a 5 day incubation period. Using a standard BOD dilution technique and unacclimated sewage inocula, BOD values of 50.8%(3) and 38%(4) of theoretical was observed over a 10 day incubation period. The percent theoretical BOD of diethyl ketone in a semi-continuous activated sludge (SCAS) biological treatment simulation test was 38% over a 24 hour incubation period(5).

12.3 Bioaccumulative potential

An estimated BCF of 3 was calculated in fish for diethyl ketone(SRC), using a log Kow of 0.99(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).

12.4 Mobility in soil

The Koc of diethyl ketone is estimated as 82(SRC), using a log Kow of 0.99(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that diethyl ketone is expected to have 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: UN1156 IMDG: UN1156 IATA: UN1156

14.2 UN Proper Shipping Name

ADR/RID: DIETHYL KETONE
IMDG: DIETHYL KETONE
IATA: DIETHYL KETONE

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
pentan-3-one pentan-3-one 96-22-0 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 Not Listed.
Chinese Chemical Inventory of Existing Chemical Substances (China IECSC) Listed.

16.Other information

Information on revision

Creation Date Aug 12, 2017
Revision Date Aug 12, 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 : 400 MHz in CDCl3Expand

NMR Spectrum 1H NMR : 400 MHz in CDCl3

Collapse

C5 H10 O 0.05 ml : 0.5 ml CDCl3
3-pentanone

Assign. Shift(ppm)
A 2.439
B 1.058

IR : liquid filmExpand
Mass Expand
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