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4-Methylcyclohexanone

4-Methylcyclohexanone structure

CAS No:
589-92-4
Formula:
C7H12O
Chemical Name:
4-Methylcyclohexanone
Synonyms:
Cyclohexanone,4-methyl-;4-Methylcyclohexanone;4-Methyl-1-cyclohexanone;NSC 3816
Categories:
Specialty Chemicals

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Description

CLEAR COLOURLESS TO SLIGHTLY YELLOW LIQUID 4-Methylcyclohexanone has an acetone-like odor.

Liquid|Colourless liquid; musty animalistic odour

4-Methylcyclohexanone Basic Attributes

Molecular Weight：

112.17

Exact Mass：

112.17

BRN：

506746

EC Number：

209-665-3

UNII：

0L1R78K79S

NSC Number：

3816

UN Number：

2297

DSSTox ID：

DTXSID5060435

HScode：

29142200

Characteristics

PSA：

17.1

XLogP3：

1.4

Appearance：

Clear colorless to slightly yellow Liquid

Density：

0.9132 g/cm³ @ Temp: 20 °C

Melting Point：

-40.6 °C

Boiling Point：

170 °C

Flash Point：

105 °F

Refractive Index：

1.442

Water Solubility：

Not miscible in water.

Storage Conditions：

Flammables area

Vapor Pressure：

20 hPa (65 °C)

Toxicity：

LD50 orally in Rabbit: 800 mg/kg

Safety Information

Packing level：

Ⅲ

Hazard category：

Transport codes：

UN 2297 3/PG 3

wgk germany：

hazard class code：

10-22-20/21/22-2017/10/22

safety instructions：

16-36-36/37-23

RTECS Number：

GW1750200

Marks：

Xn,Xi

Hazard note：

Irritant

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P312, P303+P361+P353, P330, P370+P378, P403+P235, P501

Hazard Statements：

H226-H302

GHS Classification：

|Danger|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P260, P264, P270, P280, P301+P312, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P363, P370+P378, P403+P235, P405, and P501|Aggregated GHS information provided by 206 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|Warning|P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501|Aggregated GHS information provided by 33 companies from 1 notifications to the ECHA C&L Inventory.|H226: Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P301+P310, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P331, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501

4-Methylcyclohexanone Use and Manufacturing

Methods of Manufacturing

By oxidation of methyl cyclohexanol.

Uses

Intermediates of Liquid Crystals

Manufacturing Info：

Cyclohexanone, 4-methyl-: ACTIVE

Use Classification：

Flavoring Agents -> JECFA Flavorings Index

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:112.17
XLogP3:1.4
Hydrogen Bond Acceptor Count:1
Exact Mass:112.088815002
Monoisotopic Mass:112.088815002
Topological Polar Surface Area:17.1
Heavy Atom Count:8
Complexity:86.6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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