591-78-6 structure, C6H12O
2-Hexanone
CAS No.: 591-78-6 Formula: C6H12O Molecular Weight: 100.15900
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2-Hexanone

CAS No.:

591-78-6

Formula:

C6H12O

Molecular Weight: 100.15900
Suppliers: All (43) China Suppliers (42) Price Available (13) Contractor (3)

Description

2-Hexanone (methyl butyl ketone, MBK) is a ketone used as a general solvent and in paints. It dissolves cellulose nitrate, vinyl polymers and copolymers, and natural and synthetic resins. It is recommended as a solvent because it is photochemically inactive; however it has a very low safe threshold limit value (MAK value). 2-Hexanone is absorbed through the lungs, orally and dermally and its metabolite, 2,5-hexanedione, is neurotoxic. Animal tests have shown that the neurotoxic effect of 2-hexanone may be potentiated by simultaneous administration of 2-butanone (methyl ethyl ketone, MEK).

Basic Info

Chemical Name

2-Hexanone

Synonyms

methyl n-butyl ketone; Hexan-2-on; n-C4H9COCH3; 2-Ketohexane; MBK; n-butyl methyl ketone; MNBK; 2-Oxohexane; Hexanone-2; 2-Hexanon; Expand

CAS No.

591-78-6

Molecular Formula

C6H12O

Molecular Weight

100.15900

PSA

17.07000

LogP

1.76560

Numbering system

EINECS number 209-731-1
MDL number MFCD00009482

Properties

Appearance & Physical State

colorless to pale yellow liquid

Density

0.81

Boiling Point

127ºC

Melting Point

-57ºC

Flash Point

23ºC

Refractive Index

1.3995-1.4015

Water Solubility

2 g/100 mL (20 ºC)

Stability

Stable. Flammable. Incompatible with oxidizing agents, strong bases, reducing agents.

Storage Condition

2-8ºC

Vapor Pressure

10 mm Hg ( 39 °C)

Safety Info

RTECS

MP1400000

Hazard Class

3

Safety Statements

S36/37-S45

WGK Germany

1

Packing Group

II

RIDADR

UN 1224

Risk Statements

R10; R48/23; R62; R67

Hazard Codes

T

SDS 1.0

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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 2-Hexanone

1.2 Other means of identification

Product number -
Other names 2-Hexanone

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 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 3

Specific target organ toxicity – single exposure, Category 3

Specific target organ toxicity – repeated exposure, Category 1

Reproductive toxicity, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H226 Flammable liquid and vapour

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.

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

P264 Wash ... thoroughly after handling.

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

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.

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

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

P314 Get medical advice/attention 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
2-Hexanone 2-Hexanone 591-78-6 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 and then wash skin with water and soap. 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

Inhalation of high concentrations of vapor may result in narcosis; peripheral neuropathy may develop. Ingestion of large amounts may cause some systemic injury. Contact with eyes causes mild to moderate irritation. Liquid irritates skin; prolonged or repeated contact may cause defatting of the skin with resultant dermatitis. (USCG, 1999)

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

An accurate history is essential to determine whether a person has been exposed to /2-hexanone/. ...Patient may report weakness, muscle cramps, numbness, and paresthesias such as the feeling of tingling, burning, and freezing. Impotence may occur. The physical examination should examine all muscle groups for weakness. Peripheral muscles are affected first, with more proximal weakness after more prolonged exposure. Muscle stretch reflexes are absent distally in areas of weakness. Atrophy of the hand muscles has been reported. Hyperhidrosis may occur. All sensory modalities may be affected, including touch and proprioception. Patients should be assessed for cerebellar signs and tremor. Visual acuity and peripheral vision changes have not been reported, whereas blurred vision has. Tinnitus may occur. Signs of parkinsonism should be sought. ...The patient must be removed from all future exposure. Physical therapy should be initiated to maintain full range of motion until reinnervation occurs. Recovery is slow, as the regeneration of axon fibers must take place. Complete recovery of strength may not occur.

5.Fire-fighting measures

5.1 Extinguishing media

Suitable extinguishing media

If material is on fire or involved in fire: Do not extinguish fire unless flow can be stopped. Use water in flooding quantities as fog. Solid streams of water may spread fire. Cool all affected containers with flooding quantities of water. Apply water from as far a distance as possible. Use "alcohol" foam, dry chemical or carbon dioxide.

5.2 Specific hazards arising from the chemical

This chemical is flammable.

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: self-contained breathing apparatus. Collect leaking and spilled liquid in sealable 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

Environmental considerations -- land spill: Dig a pit, pond, lagoon, holding area to contain liquid or solid material. /SRP: If time permits, pits, ponds, lagoons, soak holes, or holding areas should be sealed with an impermeable flexible membrane liner./ Dike surface flow using soil, sand bangs, foamed polyurethane, or foamed concrete. Absorb bulk liquid with fly ash, cement powder, or commercial sorbents.

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.MATERIALS WHICH ARE TOXIC AS STORED OR WHICH CAN DECOMPOSE INTO TOXIC COMPONENTS ... SHOULD BE STORED IN A COOL WELL VENTILATED PLACE, OUT OF THE DIRECT RAYS OF THE SUN, AWAY FROM AREAS OF HIGH FIRE HAZARD, AND SHOULD BE PERIODICALLY INSPECTED. INCOMPATIBLE MATERIALS SHOULD BE ISOLATED ...

8.Exposure controls/personal protection

8.1 Control parameters

Occupational Exposure limit values

Recommended Exposure Limit: 10 Hr Time-Weighted Avg: 1 ppm (4 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 liquid
Odour Characteristic acetone like odor, but more pungent
Melting point/ freezing point -57°C(lit.)
Boiling point or initial boiling point and boiling range 127°C
Flammability Class IC Flammable Liquid: Fl.P. at or above 22.78°C and below 37.78°C.Flammable.
Lower and upper explosion limit / flammability limit Lower flammable limit: 1.2% by volume; Upper flammable limit: 8% by volume
Flash point 23°C(lit.)
Auto-ignition temperature 423.89°C (USCG, 1999)
Decomposition temperature no data available
pH no data available
Kinematic viscosity 0.62 cP at 20°C
Solubility In water:2 g/100 mL (20 ºC)
Partition coefficient n-octanol/water (log value) log Kow = 1.38
Vapour pressure 10 mm Hg ( 39 °C)
Density and/or relative density 0.81
Relative vapour density 3.45 (Relative to 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 and explosion hazard when exposed to heat or flame ...METHYL BUTYL KETONE is incompatible with oxidizing agents. It may also react with strong bases and reducing agents.

10.4 Conditions to avoid

no data available

10.5 Incompatible materials

Strong oxidizers.

10.6 Hazardous decomposition products

no data available

11.Toxicological information

Acute toxicity

  • Oral: LD50 Rat oral 2.59 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

EPA-1

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, 31 days old) 428 mg/L/96 hr at 25°C (99+% purity), flow-through bioassay.
  • Toxicity to daphnia and other aquatic invertebrates: no data available
  • Toxicity to algae: no data available
  • Toxicity to microorganisms: no data available

12.2 Persistence and degradability

AEROBIC: Biodegradation is expected to be an important fate process for this compound(1). Using an acclimated mixed microbial culture seed, a 59% theoretical biological oxygen demand for 2-hexanone was obtained after five days(2). In a five day test using an activated microbial culture, 2-hexanone consumed 61.4% of its theoretical oxygen demand(4).

12.3 Bioaccumulative potential

An estimated BCF of 2 was calculated for 2-hexanone(SRC), using a log Kow of 1.38(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 2-hexanone is estimated as 134(SRC), using a log Kow of 1.38(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that 2-hexanone 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: UN1224 IMDG: UN1224 IATA: UN1224

14.2 UN Proper Shipping Name

ADR/RID: KETONES, LIQUID, N.O.S.
IMDG: KETONES, LIQUID, N.O.S.
IATA: KETONES, LIQUID, N.O.S.

14.3 Transport hazard class(es)

ADR/RID: 3 IMDG: 3 IATA: 3

14.4 Packing group, if applicable

ADR/RID: III IMDG: III IATA: III

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
2-Hexanone 2-Hexanone 591-78-6 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

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1H NMR : PredictExpand

NMR Spectrum 1H NMR : Predict

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591-78-6 NMR spectrum
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Exposure Route Type of Test Species Observed Dose/Duration Toxic Effects
Administration onto the skin Standard Draize test Rodent - rabbit 500 mg/24H -
Administration into the eye Standard Draize test Rodent - rabbit 500 mg/24H -
Inhalation TCLo - Lowest published toxic concentration Human 1000 ppm 1.Sense Organs and Special Senses (Eye)-effect, not otherwise specified
2.Behavioral-headache
3.Gastrointestinal-nausea or vomiting
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