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Cyclohexylbenzene

Cyclohexylbenzene structure

CAS No:
827-52-1
Formula:
C12H16
Chemical Name:
Cyclohexylbenzene
Synonyms:
Benzene,cyclohexyl-;Cyclohexylbenzene;Cyclohexane,phenyl-;1,1′-Biphenyl,1,2,3,4,5,6-hexahydro-;Phenylcyclohexane;4-Cyclohexylbenzene;NSC 40473;NSC 69101
Categories:
Organic Chemistry > Hydrocarbons and Derivatives

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Description

colourless liquid

Cyclohexylbenzene Basic Attributes

Molecular Weight：

160.26

Exact Mass：

160.26

BRN：

1906803

EC Number：

212-572-0

UNII：

TRJ2SXT894

NSC Number：

98371|69101|40473

DSSTox ID：

DTXSID3061188

HScode：

2902909090

Characteristics

PSA：

XLogP3：

4.9

Appearance：

Clear colorless Liquid

Density：

0.982 g/cm³ @ Temp: 14 °C

Melting Point：

7.3 °C

Boiling Point：

240.1 °C

Flash Point：

210 °F

Refractive Index：

1.523

Water Solubility：

INSOLUBLE

Storage Conditions：

Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

Vapor Pressure：

0.04 mmHg

Toxicity：

Oral-Rat LD50: 3700 mg/kg; Oral-Mouse LD50: 2800 mg/kg

Flammability characteristics：

Combustible in case of open flame, high temperature and strong oxidant; burning emits irritating smoke

Safety Information

Packing level：

III

Hazard category：

Transport codes：

UN 3082 9/PG 3

wgk germany：

hazard class code：

22-36/38-50/53

safety instructions：

26-60-61

RTECS Number：

CZ1330000

Marks：

Xn,N

Storage features：

Completely packed, lightly placed; storeroom ventilated, away from open flames, high temperature, and stored separately from oxidants

Stability/Shelf Life：

Stable. Flammable. Incompatible with strong oxidizing agents.

Precautionary statement(s)：

P301 + P312 + P330-P305 + P351 + P338

Hazard Statements：

H302-H315-H319-H410

GHS Classification：

|Danger|H302 (73.21%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P273, P280, P301+P310, P301+P312, P302+P352, P305+P351+P338, P321, P330, P331, P332+P313, P337+P313, P362, P391, P405, and P501|Aggregated GHS information provided by 69 companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P264, P273, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, P362, P391, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Toxicity

Toxicity class：

moderately

Drug Information

MeSH Entry Terms：

phenylcyclohexane

Cyclohexylbenzene Use and Manufacturing

Methods of Manufacturing

Under vigorous stirring, add the newly distilled cyclohexene dropwise to the mixture of benzene and sulfuric acid. The temperature is maintained at 15±5°C for about 0.5-1h. After the addition, the temperature is kept for 1h. The sulfuric acid layer is separated, the oil layer is washed sequentially with water, lye and water, and fractionated. The unreacted benzene is distilled first, then the 230-260°C fraction is collected, and the positive boiling point fraction is collected again by fractionation to obtain the product cyclohexylbenzene.

Uses

Used as a high boiling point solvent and penetrating agent, also used in organic synthesis

Intermediates

Production

< 25,000 lb

Manufacturing Info：

Petrochemical manufacturing|Benzene, cyclohexyl-: ACTIVE

Computed Properties

Molecular Weight:160.25
XLogP3:4.9
Rotatable Bond Count:1
Exact Mass:160.125200510
Monoisotopic Mass:160.125200510
Heavy Atom Count:12
Complexity:116
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Chlorobenzene

Benzene

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