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5-PHENYLCYCLOHEXANE-1,3-DIONE

5-PHENYLCYCLOHEXANE-1,3-DIONE structure

CAS No:
493-72-1
Formula:
C12H12O2
Chemical Name:
5-PHENYLCYCLOHEXANE-1,3-DIONE
Synonyms:
ASISCHEMC66298;RARECHEMARPA0039;1,3-Dioxo-5-phenylcyclohexane;5-PHENYLCYCLOHEXANE-1,3-DIONE;5-PHENYL-1,3-CYCLOHEXANEDIONE;5-Phenyl-1,3-cyclohexanedione,96%;5-Phenyl-1,3-cyclohexanedione96%;5-Phenylcyclohexane-1,3-dione98%;(S)-1-Phenylcarbamoylmethyl-pyrrolidine-2-carboxylicacid;1,3-Dioxo-5-phenylcyclohexane,(3,5-Dioxocyclohex-1-yl)benzene

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Description

slightly yellow to yellow crystalline powder

5-PHENYLCYCLOHEXANE-1,3-DIONE Basic Attributes

Molecular Weight：

188.226

Exact Mass：

188.083725

HScode：

2914399090

Characteristics

PSA：

34.1

XLogP3：

1.4

Density：

1.1±0.1 g/cm3

Melting Point：

188 °C(lit.)

Boiling Point：

356.5°C at 760 mmHg

Flash Point：

133.8±24.9 °C

Refractive Index：

1.553

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

safety instructions：

S24/25

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, 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+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, 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.

Computed Properties

Molecular Weight:188.22
XLogP3:1.4
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:188.083729621
Monoisotopic Mass:188.083729621
Topological Polar Surface Area:34.1
Heavy Atom Count:14
Complexity:223
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-PHENYLCYCLOHEXANE-1,3-DIONE

Description
Basic Attributes
Characteristics
Safety Information
Computed Properties

5-PHENYLCYCLOHEXANE-1,3-DIONE

SDS

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