cyclohexane
CAS No.: 110-82-7 Formula: C6H12 Molecular Weight: 84.15950
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cyclohexane

CAS No.: 110-82-7 Formula: C6H12 Molecular Weight: 84.15950
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Description

Cyclohexane is a cycloalkane with the molecular formula C6H12. Cyclohexane is mainly used for the industrial production of adipic acid and caprolactam, which are precursors to nylon. Cyclohexane is a colourless, flammable liquid with a distinctive detergent-like odor, reminiscent of cleaning products (in which it is sometimes used).

Basic Info

Chemical Name cyclohexane
Synonyms

CYCLOHEXANE HPLC GRADE; Cyclohexane; cyclohexaan; Cykloheksan; cyclohexan; HEXAMETHYLENE; Cicloesano; hexamethylen; cyclo-hexane; NAPHTHENE; HEXANAPHTHENE; Cyclohesan; Expand

CAS No. 110-82-7
Molecular Formula C6H12
Molecular Weight 84.15950
PSA 0.00000
LogP 2.34060

Properties

Appearance & Physical State colorless liquid
Density 0.77
Boiling Point 81ºC
Melting Point 6.5ºC
Flash Point -18ºC
Refractive Index 1.425-1.427
Storage Condition Store at RT.

Safety Info

RTECS GU6300000
Hazard Class 3
Safety Statements S16-S25-S33-S60-S61-S62-S9
HS Code 2902110000
WGK Germany 2
Packing Group II
RIDADR UN 1145
Risk Statements R11; R38; R50/53; R65; R67
Hazard Codes F
Symbol GHS02, GHS07, GHS08, GHS09
Caution Statement P210; P301 + P310; P331; P370 + P378; P403 + P235
Signal Word Danger
Hazard Declaration H225; H304; H315; H336; H410
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 cyclohexane

1.2 Other means of identification

Product number -
Other names CYCLOHEXANE HPLC GRADE

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only. Food Additives: EXTRACTION_SOLVENT
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

Skin irritation, Category 2

Aspiration hazard, Category 1

Specific target organ toxicity – single exposure, Category 3

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

H315 Causes skin irritation

H304 May be fatal if swallowed and enters airways

H336 May cause drowsiness or dizziness

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.

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

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

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.

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

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

P332+P313 If skin irritation occurs: Get medical advice/attention.

P362+P364 Take off contaminated clothing and wash it before reuse.

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

P331 Do NOT induce vomiting.

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

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

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
cyclohexane cyclohexane 110-82-7 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.

In case of eye contact

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

If swallowed

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

4.2 Most important symptoms/effects, acute and delayed

Dizziness, with nausea and vomiting. Concentrated vapor may cause unconsciousness and collapse. (USCG, 1999)

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 the 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. /Aliphatic hydrocarbons and related compounds/

5.Fire-fighting measures

5.1 Extinguishing media

Suitable extinguishing media

Use water spray to cool unopened containers.

5.2 Specific hazards arising from the chemical

Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]: 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. Substance may be transported hot. For hybrid vehicles, ERG Guide 147 (lithium ion batteries) or ERG Guide 138 (sodium batteries) should also be consulted. If molten aluminum is involved, refer to ERG Guide 169. (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

Evacuate danger area! Consult an expert! Remove all ignition sources. Personal protection: self-contained breathing apparatus. Ventilation. Do NOT let this chemical enter the environment. 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. 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 fume hood). Allow sufficient time for evap vapors to completely clear hood ductwork. Burn the paper in suitable location away from combustible materials. 3. Large quantities can be collected & atomized in suitable combustion chamber. Combustion may be improved by mixing with more flammable liquid. Cyclohexane liquid should not be allowed to enter confined space, such as sewer, because of possibility of an explosion.

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. Provision to contain effluent from fire extinguishing. Separated from strong oxidants. Store in an area without drain or sewer access.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. Store under inert gas.

8.Exposure controls/personal protection

8.1 Control parameters

Occupational Exposure limit values

Recommended Exposure Limit: 10 Hour Time-Weighted Average: 300 ppm (1050 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 liquid
Colour Colorless mobile liquid
Odour Solvent odor; pungent when impure
Melting point/ freezing point 252°C(lit.)
Boiling point or initial boiling point and boiling range 80.7°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 Flammable limits: Lower= 1.3% by volume; Upper= 8.0% by volume.
Flash point -18°C
Auto-ignition temperature 260°C
Decomposition temperature no data available
pH no data available
Kinematic viscosity 0.977 mPa.s at 20°C
Solubility less than 1 mg/mL at 17.22°C
Partition coefficient n-octanol/water (log value) log Kow = 3.44
Vapour pressure 95 mm Hg at 20°C ; 100 mm Hg at 25.5°C
Density and/or relative density 0.779g/mLat 25°C(lit.)
Relative vapour density 2.9 (vs air)
Particle characteristics no data available

10.Stability and reactivity

10.1 Reactivity

no data available

10.2 Chemical stability

Most solvents and reagents, as received from the manufacturer, had low levels of peroxides. After opening the container, peroxides were formed rapidly in many solvents.

10.3 Possibility of hazardous reactions

Dangerous fire hazard when exposed to heat or flame; can react with oxidizing materials.The vapour is heavier than air and may travel along the ground; distant ignition possible. As a result of flow, agitation, etc., electrostatic charges can be generated.Liquid nitrogen dioxide was fed into a nitration column containing hot CYCLOHEXANE, due to an error. An explosion resulted [MCA Case History 128(1962)] Incompatible with strong oxidizers.

10.4 Conditions to avoid

no data available

10.5 Incompatible materials

Oxidizers.

10.6 Hazardous decomposition products

When heated to decomposition it emits acrid smoke and fumes.

11.Toxicological information

Acute toxicity

  • Oral: LD50 Rat oral 8.0-39.0 mL/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-I

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; Species: Danio rerio (Zebra danio) embryo; Conditions: freshwater, static, 27°C; Concentration: 2470000 ug/L for 48 hr /100% purity
  • Toxicity to daphnia and other aquatic invertebrates: EC50; Species: Daphnia magna (Water flea) age 4-6 days, length 1.5 mm; Conditions: freshwater, static, 23°C, pH 6-7, dissolved oxygen 5-9 mg/L; Concentration: 45 mmol/cu m for 48 hr (95% confidence interval: 34-60 mmol/cu m); Effect: intoxication, immobilization /> or =97% purity
  • Toxicity to algae: no data available
  • Toxicity to microorganisms: no data available

12.2 Persistence and degradability

AEROBIC: Cyclohexane is highly resistant to biodegradation and is catabolized chiefly by cooxidation(1,2). Thus, it does not support growth of the degrading organism themselves, but rather are metabolized during the course of the microorganisms growth on another, usually similar, substrate. Initial attack involves oxygenation and subsequent ring cleavage to simple, readily degradable acids(1). 10% degradation in 12 hours was reported using microorganisms isolated from a brackish creek in an area continuously exposed to oil(3). Only slight degradation of cyclohexane was noted in a screening test utilizing a benzene-acclimated activated sludge inoculum(4) and it was listed as degradation resistant according to the MITI test, a screening test of the Japanese Ministry of International Trade and Industry(5). Only one biodegradability test was reported in soil in which it was listed as nondegradable with only 0.3% mineralization occurring in 10 wk(6). When incubated at 23°C with natural flora in groundwater in the presence of other components of high octane gasoline, 45% degradation was reported after 8 days(7). Cyclohexane, added as a component of gasoline, underwent 45% biodegradation after 192 hrs using microorganisms isolated from groundwater contaminated by a gasoline pipeline break(8).

12.3 Bioaccumulative potential

Using carp (Cyprinus carpio) which were exposed over an 8-week period, the BCF of cyclohexane ranged from 31-102 at a concentration of 0.1 mg/L and 37-129 at a concentration of 0.01 mg/L(1). An experimental BCF of 158 has also been reported(2). According to a classification scheme(2), these BCF values suggest bioconcentration in aquatic organisms is moderate to high, provided the compound is not metabolized by the organism(SRC).

12.4 Mobility in soil

Based on measured sorption isotherms in a high-organic soil(1), the Koc of cyclohexane can be estimated to be about 350(SRC). Using a structure estimation method based on molecular connectivity indices(2), the Koc for cyclohexane can be estimated to be about 150(SRC). According to a classification scheme(3), these estimated Koc values suggest that cyclohexane is expected to have moderate 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: UN1145 IMDG: UN1145 IATA: UN1145

14.2 UN Proper Shipping Name

ADR/RID: CYCLOHEXANE
IMDG: CYCLOHEXANE
IATA: CYCLOHEXANE

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: 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
cyclohexane cyclohexane 110-82-7 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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C6 H12 0.04 ml : 0.5 ml CDCl3
cyclohexane

Parameter ppm Hz
D(A) 1.429

IR : liquid filmExpand
Mass Expand
Raman : 4880 A,100M,liquidExpand
ESR : IRRAD. WITH 2.8 MEV ELECTRON AT -10CExpand
Exposure Route Type of Test Species Observed Dose/Duration Toxic Effects
Administration onto the skin Standard Draize test Rodent - rabbit 1548 mg/2D (Intermittent) -
Oral LD50 - Lethal dose, 50 percent kill Rodent - rat 12705 mg/kg 1.Details of toxic effects not reported other than lethal dose value
Oral LD50 - Lethal dose, 50 percent kill Rodent - mouse 813 mg/kg 1.Details of toxic effects not reported other than lethal dose value
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