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1,2-Cyclohexanedione

1,2-Cyclohexanedione structure

CAS No:
765-87-7
Formula:
C6H8O2
Chemical Name:
1,2-Cyclohexanedione
Synonyms:
1,2-Cyclohexanedione;1,2-Dioxocyclohexane;NSC 32950;NSC 627435
Categories:
Specialty Chemicals

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Description

1,2-Cyclohexanedione is an endogenous metabolite.

Solid

Cyclohexane-1,2-dione is a cyclohexanedione carrying oxo substituents at positions 1 and 2.

1,2-Cyclohexanedione Basic Attributes

Molecular Weight：

112.128

Exact Mass：

112.13

EC Number：

212-155-3

UNII：

75C1OVW0FJ

NSC Number：

627435|32950

DSSTox ID：

DTXSID6061101

HScode：

2914299000

Characteristics

PSA：

34.1

XLogP3：

-0.1

Appearance：

Solid

Density：

1.1305 g/cm³ @ Temp: 20 °C

Melting Point：

40 °C

Boiling Point：

194 °C

Flash Point：

66.9±4.4 °C

Refractive Index：

1.474

Water Solubility：

Soluble

Storage Conditions：

0-6ºC

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

R22

safety instructions：

S24/25

RTECS Number：

GV0340000

Marks：

Xn:Harmful

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

1,2-cyclohexanedione

1,2-Cyclohexanedione Use and Manufacturing

Uses

1,2-Cyclohexanedione have been used as a substrate to study enzyme cyclohexane-1,2-dione hydrolase as a new tool to degrade alicyclic compounds.

Manufacturing Info：

1,2-Cyclohexanedione: ACTIVE

Use Classification：

Flavouring Agent -> FLAVOURING_AGENT; -> JECFA Functional Classes

Food Additive Classes：

Flavouring Agent -> FLAVOURING_AGENT;

Computed Properties

Molecular Weight:112.13
XLogP3:-0.1
Hydrogen Bond Acceptor Count:2
Exact Mass:112.052429494
Monoisotopic Mass:112.052429494
Topological Polar Surface Area:34.1
Heavy Atom Count:8
Complexity:111
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 765-87-7

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Content: 99%

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