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3-Phenylcyclohexanone

3-Phenylcyclohexanone structure

CAS No:
20795-53-3
Formula:
C12H14O
Chemical Name:
3-Phenylcyclohexanone
Synonyms:
Cyclohexanone,3-phenyl-;3-Phenylcyclohexanone;(±)-3-Phenylcyclohexanone;NSC 119037;113829-97-3
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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3-Phenylcyclohexanone Basic Attributes

Molecular Weight：

174.23900

Exact Mass：

174.24

NSC Number：

119037

DSSTox ID：

DTXSID70297900

HScode：

2914399090

Characteristics

PSA：

17.07000

XLogP3：

2.91330

Density：

1.042g/cm3

Melting Point：

64 °C

Boiling Point：

169-169.5 °C @ Press: 18 Torr

Flash Point：

123.7ºC

Refractive Index：

1.537

Vapor Pressure：

0.00167mmHg at 25°C

Safety Information

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:174.24
XLogP3:2.3
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:174.104465066
Monoisotopic Mass:174.104465066
Topological Polar Surface Area:17.1
Heavy Atom Count:13
Complexity:180
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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3-PHENYL-CYCLOHEXANONE 20795-53-3

CAS No.: 20795-53-3

Grade: Industrial Grade

Content: 98%

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