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1,4-Diphenyl-1-butanone

1,4-Diphenyl-1-butanone structure

CAS No:
5407-91-0
Formula:
C16H16O
Chemical Name:
1,4-Diphenyl-1-butanone
Synonyms:
1-Butanone,1,4-diphenyl-;Butyrophenone,4-phenyl-;1,4-Diphenyl-1-butanone;γ-Phenylbutyrophenone;1-Phenyl-3-benzoylpropane;4-Phenylbutyrophenone;Phenyl 3-phenylpropyl ketone;NSC 10735

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Description

white to slightly yellow powder

1,4-Diphenyl-1-butanone Basic Attributes

Molecular Weight：

224.298

Exact Mass：

224.30

EC Number：

226-471-4

NSC Number：

10735

DSSTox ID：

DTXSID00202401

HScode：

2914399090

Characteristics

PSA：

17.07000

XLogP3：

4.27

Density：

1.0±0.1 g/cm3

Melting Point：

53-55 °C

Boiling Point：

200 °C @ Press: 18 Torr

Flash Point：

157.9±17.0 °C

Refractive Index：

1.566

Safety Information

safety instructions：

S22-S24/25

Precautionary statement(s)：

P273, P391, P501

Hazard Statements：

H411

GHS Classification：

|H411 (97.44%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]|P273, P391, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:224.30
XLogP3:4.1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:5
Exact Mass:224.120115130
Monoisotopic Mass:224.120115130
Topological Polar Surface Area:17.1
Heavy Atom Count:17
Complexity:222
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1,4-Diphenyl-1-butanone

Description
Basic Attributes
Characteristics
Safety Information
Computed Properties

1,4-Diphenyl-1-butanone

SDS

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