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3-Methyl-1-phenyl-2-butanone

3-Methyl-1-phenyl-2-butanone structure

CAS No:
2893-05-2
Formula:
C11H14O
Chemical Name:
3-Methyl-1-phenyl-2-butanone
Synonyms:
2-Butanone,3-methyl-1-phenyl-;3-Methyl-1-phenyl-2-butanone;Isopropylbenzyl ketone;Benzyl isopropyl ketone;1-Phenyl-3-methyl-2-butanone;NSC 406926

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3-Methyl-1-phenyl-2-butanone Basic Attributes

Molecular Weight：

162.22800

Exact Mass：

162.23

EC Number：

220-765-6

UNII：

81804S3MKM

NSC Number：

406926

DSSTox ID：

DTXSID40183129

HScode：

2914399090

Characteristics

PSA：

17.07000

XLogP3：

2.45420

Density：

0.985 g/cm³ @ Temp: 40 °C

Boiling Point：

237 °C @ Press: 760 Torr

Flash Point：

237-240°C

Refractive Index：

1.5040

Water Solubility：

Not miscible in water.

Vapor Pressure：

0.0459mmHg at 25°C

Safety Information

safety instructions：

S24/25

Precautionary statement(s)：

S24/25

Computed Properties

Molecular Weight:162.23
XLogP3:2.5
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:162.104465066
Monoisotopic Mass:162.104465066
Topological Polar Surface Area:17.1
Heavy Atom Count:12
Complexity:143
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Synthesis Route

7332-95-8

15325-61-8

94719-34-3

94719-35-4

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Guide of 3-Methyl-1-phenyl-2-butanone

Basic Attributes
Characteristics
Safety Information
Computed Properties
Synthesis Route

3-Methyl-1-phenyl-2-butanone

SDS

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