Cyclohexanone
CAS No.: 108-94-1 Formula: C6H10O Molecular Weight: 98.14300
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Cyclohexanone

CAS No.: 108-94-1 Formula: C6H10O Molecular Weight: 98.14300
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Description

Cyclohexanone is the organic compound with the formula (CH2)5CO. The molecule consists of six-carbon cyclic molecule with a ketone functional group. This colorless oil has an odor reminiscent of peardrop sweets as well as acetone. Over time, samples assume a yellow color due to oxidation. Cyclohexanone is slightly soluble in water and miscible with common organic solvents. Billions of kilograms are produced annually, mainly as a precursor to nylon.

Basic Info

Chemical Name Cyclohexanone
Synonyms

2-cyclohexanone; cyclohexyloxide; cyclo-hexanone; Cyclohexanone; Cyclohexanon;

CAS No. 108-94-1
Molecular Formula C6H10O
Molecular Weight 98.14300
PSA 17.07000
LogP 1.51960

Properties

Appearance & Physical State Colourless liquid.
Density 0.947
Boiling Point 155ºC
Melting Point -47ºC
Flash Point 46ºC
Refractive Index 1.445-1.456
Water Solubility 150 g/L (10 ºC)
Stability Stable. Combustible. Incompatible with strong oxidizing agents.
Storage Condition Flammables area.
Vapor Density 3.4 (vs air)
Vapor Pressure 3.4 mm Hg ( 20 °C)

Safety Info

RTECS GW1050000
Hazard Class 3
Safety Statements S25
HS Code 2914220000
Packing Group III
WGK Germany 1
RIDADR UN 1915
Risk Statements R10; R20
Hazard Codes Xn
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 20, 2017

Revision Date: Aug 20, 2017

1.Identification

1.1 GHS Product identifier

Product name Cyclohexanone

1.2 Other means of identification

Product number -
Other names cyclo-hexanone

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only. Adhesives and sealant chemicals,Agricultural chemicals (non-pesticidal),CBI,Intermediates,Paint additives and coating additives not described by other categories,Solvents (for cleaning or degreasing),Solvents (which become part of product formulation or mixture)
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 3

Acute toxicity - Inhalation, Category 4

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H226 Flammable liquid and vapour

H332 Harmful if inhaled

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.

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
Cyclohexanone Cyclohexanone 108-94-1 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 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. Give one or two glasses of water to drink. Refer for medical attention .

4.2 Most important symptoms/effects, acute and delayed

Inhalation of vapors from hot material can cause narcosis. The liquid may cause dermatitis. (USCG, 1999)

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

Absorption, Distribution and Excretion

... ABSORPTION OF CYCLOHEXANONE THROUGH SKIN PRODUCES SAME EFFECTS AS BY OTHER ROUTES BUT DOSAGE REQUIRED IS LARGER.

5.Fire-fighting measures

5.1 Extinguishing media

Suitable extinguishing media

ALCOHOL FOAM, DRY CHEMICAL OR 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: chemical protection suit and filter respirator for organic gases and vapours adapted to the airborne concentration of the substance. Remove all ignition sources. Ventilation. 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

Remove all ignition sources. Ventilate area of spill or leak. For small quantities of liquids containing cyclohexanone, absorb on paper towels and place in an appropriate container. Place towels in a safe place (such as a fume hood) for evaporation. Allow sufficient time for evaporation of the vapors so that the hood ductwork is free from cyclohexanone vapors. Burn the paper in a suitable location away from combustible materials.

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.Keep containers closed; prohibit open flame. Store in cool and dark plane.

8.Exposure controls/personal protection

8.1 Control parameters

Occupational Exposure limit values

Recommended Exposure Limit: 10 Hr Time-Weighted Avg: 25 ppm (100 mg/cu m). Skin.

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 liquid.
Colour OILY LIQUID
Odour ODOR REMINISCENT OF PEPPERMINT & ACETONE
Melting point/ freezing point -47ºC
Boiling point or initial boiling point and boiling range 155ºC
Flammability Class II Combustible Liquid: Fl.P. at or above 37.78°C and below 60°C.Flammable.
Lower and upper explosion limit / flammability limit Lower flammable limit: 1.1% by volume at 212 deg F; Upper flammable limit: 9.4% by volume
Flash point 46ºC
Auto-ignition temperature 420°C (USCG, 1999)
Decomposition temperature no data available
pH no data available
Kinematic viscosity 2.2 mPa.s (=cP) @ 25°C
Solubility In water:150 g/L (10 ºC)
Partition coefficient n-octanol/water (log value) no data available
Vapour pressure 3.4 mm Hg ( 20 °C)
Density and/or relative density 0.947
Relative vapour density 3.4 (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

MODERATE, WHEN EXPOSED TO HEAT OR FLAME; CAN REACT VIGOROUSLY WITH OXIDIZING MATERIALS ...The vapour is heavier than air. As a result of flow, agitation, etc., electrostatic charges can be generated.CYCLOHEXANONE forms an explosive peroxide with H2O2, and reacts vigorously with oxidizing materials (nitric acid).

10.4 Conditions to avoid

no data available

10.5 Incompatible materials

Incompatible with oxidizing agents.

10.6 Hazardous decomposition products

no data available

11.Toxicological information

Acute toxicity

  • Oral: no data available
  • 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

Evaluation: No epidemiological data relevant to the carcinogenicity of cyclohexanone were available. There is inadequate evidence in experimental animals for the carcinogenicity of cyclohexanone. Overall evaluation: Cyclohexanone is not classifiable as to its carcinogenicity to humans (Group 3).

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) 527 mg/l 96 hr flow-through bioassay, wt 0.12 g, water hardness 45.5 mg/l CaCO3, temp: 25 +/- 1°C, pH 7.5, dissolved oxygen greater than 60% of saturation
  • 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

Cyclohexanone is readily biodegradable according to most aerobic screening tests reported in the literature. Cyclohexanone was found to be significantly biodegradable using the Japanese MITI test protocol(3,4). The Japanese Chemical Testing and Inspection Institute obtained 97% of theoretical BOD in a 4-week test using 100 mg/L test concentration and a 30 mg/L sludge inoculum(1). A 5-day 32% theoretical BOD was determined using the AFNOR T 90/103 test (screening biodegradation test) and microbes from 3 polluted surface waters(5). A 96% removal (based on COD) in a mineral salts solution was observed using an acclimated activated sludge inoculum(6). Five-day BODs of 68.2% and 62.4% of theoretical were obtained using standard and seawater dilution methods, respectively(7). In Warburg respirometer studies, 50% of theoretical BOD was observed in 20 and 50 hours using adapted and nonadapted cultures, respectively(8). Fifty percent of theoretical BOD was obtained in a 5-day test using mixed microbial cultures(2).

12.3 Bioaccumulative potential

The bioconcentration factor (BCF) for cyclohexanone can be estimated to be 2.4 based on the log Kow of 0.81(1) and a recommended regression equation(2). This BCF indicates that cyclohexanone will not bioconcentrate in aquatic organisms(SRC).

12.4 Mobility in soil

The Koc for cyclohexanone estimated using structure activity relationships (SAR) is 15(1). A Koc of 17 can be estimated from the water solubility, 23,000 mg/L(2), using a recommended regression equation(3). According to a suggested classification scheme(4), these Koc values indicate that cyclohexanone will be highly mobile 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: UN1915 IMDG: UN1915 IATA: UN1915

14.2 UN Proper Shipping Name

ADR/RID: CYCLOHEXANONE
IMDG: CYCLOHEXANONE
IATA: CYCLOHEXANONE

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
Cyclohexanone Cyclohexanone 108-94-1 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 20, 2017
Revision Date Aug 20, 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 : 90 MHz in CDCl3Expand

NMR Spectrum 1H NMR : 90 MHz in CDCl3

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C6 H10 O 0.04 ml : 0.5 ml CDCl3
cyclohexanone

Assign. Shift(ppm)
A 2.35
B 2.07 to 1.55

IR : CCl4 solutionExpand
Raman : 4880 A,200 M,liquidExpand
ESR : ANION RADICAL, REDUCTION WITH K IN DMEExpand
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