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3-Methylcyclohexanol

3-Methylcyclohexanol structure

CAS No:
591-23-1
Formula:
C7H14O
Chemical Name:
3-Methylcyclohexanol
Synonyms:
Cyclohexanol,3-methyl-;3-Methylcyclohexanol;3-Methyl-1-cyclohexanol;NSC 123022
Categories:
Chemical Reagents > Organic Reagents

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Description

CLEAR COLOURLESS TO PALE YELLOW LIQUID

COLOURLESS VISCOUS LIQUID.

3-Methylcyclohexanol Basic Attributes

Molecular Weight：

114.188

Exact Mass：

114.19

EC Number：

209-709-1

ICSC Number：

0295

NSC Number：

123022

HScode：

2906120010

Characteristics

PSA：

20.2

XLogP3：

1.83

Appearance：

COLOURLESS VISCOUS LIQUID.

Density：

0.92 g/cm³

Melting Point：

36-37 °C

Boiling Point：

174 °C

Flash Point：

62°C c.c.

Refractive Index：

1.463

Vapor Pressure：

1.7 hPa (25 °C)

Autoignition Temperature：

295 °C

Safety Information

wgk germany：

hazard class code：

safety instructions：

S24/25

RTECS Number：

GW0200000

Marks：

Storage features：

Ventilation along the floor.

Precautionary statement(s)：

P261, P271, P304+P312, P304+P340, P312

Hazard Statements：

H332

Fire Hazards：

Combustible. Above 62 °C explosive vapour/air mixtures may be formed.

GHS Classification：

|Warning|H332 (92.68%): Harmful if inhaled [Warning Acute toxicity, inhalation]|P261, P271, P304+P312, P304+P340, and P312|Aggregated GHS information provided by 41 companies from 3 notifications to the ECHA C&L Inventory.

Fire Fighting：

Use AFFF, alcohol-resistant foam, dry powder, carbon dioxide.

Spillage Disposal：

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.

Safe Storage：

Ventilation along the floor.

Inhalation Risk：

A harmful contamination of the air will not or will only very slowly be reached on evaporation of this substance at 20 °C.

Effects of Short Term Exposure：

The substance is mildly irritating to the eyes and skin. The vapour at high levels is irritating to the eyes and upper respiratory tract.

Effects of Long Term Exposure：

Repeated or prolonged contact with skin may cause dermatitis.

Fire Prevention：

NO open flames. Above 62 °C use a closed system and ventilation.

Inhalation Prevention：

Use ventilation.

Skin Prevention：

Protective gloves.

Eye Prevention：

Wear safety spectacles.

Drug Information

First Aid：

Fresh air, rest. Refer for medical attention.

Remove contaminated clothes. Rinse and then wash skin with water and soap.

First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.

MeSH Entry Terms：

3-methylcyclohexanol

Exposure Routes：

The substance can be absorbed into the body by inhalation of its vapour and by ingestion.

Symptoms：

Cough. Headache.

Redness.

3-Methylcyclohexanol Use and Manufacturing

Manufacturing Info：

Cyclohexanol, 3-methyl-: ACTIVE

Computed Properties

Molecular Weight:114.19
XLogP3:1.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Exact Mass:114.104465066
Monoisotopic Mass:114.104465066
Topological Polar Surface Area:20.2
Heavy Atom Count:8
Complexity:70.8
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes