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1,2-Diphenyl-butan-1-one

1,2-Diphenyl-butan-1-one structure

CAS No:
16282-16-9
Formula:
C16H16O
Chemical Name:
1,2-Diphenyl-butan-1-one
Synonyms:
ALPHA-ETHYLDEOXYBENZOIN;1-BUTANONE, 1,2-DIPHENYL-;(+/-)-2-PHENYLBUTYROPHENONE;1,2-Diphenyl-butan-1-one;1,2-DIPHENYL-1-BUTANONE;ETHYLDEOXYBENZOIN;LABOTEST-BB LT00159889;a-Ethyldeoxybenzoin
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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1,2-Diphenyl-butan-1-one Basic Attributes

Molecular Weight：

224.3

Exact Mass：

224.120115130 g/mol

EC Number：

236-178-3

NSC Number：

168889

DSSTox ID：

DTXSID60305043

HScode：

2914399090

Characteristics

PSA：

17.07000

XLogP3：

4.06310

Density：

1.041±0.06 g/cm3

Melting Point：

53-56°C

Boiling Point：

324°C(lit.)

Flash Point：

144ºC

Refractive Index：

1.563

Vapor Pressure：

9.76E-05mmHg at 25°C

Safety Information

wgk germany：

safety instructions：

S22; S24/25

RTECS Number：

LV0590000

1,2-Diphenyl-butan-1-one Use and Manufacturing

1,2-Diphenylbutan-1-one is a useful research chemical.

Computed Properties

Molecular Weight:224.30
XLogP3:3.6
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:4
Exact Mass:224.120115130
Monoisotopic Mass:224.120115130
Topological Polar Surface Area:17.1
Heavy Atom Count:17
Complexity:234
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes