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Isobutyl phenyl ketone

Isobutyl phenyl ketone structure

CAS No:
582-62-7
Formula:
C11H14O
Chemical Name:
Isobutyl phenyl ketone
Synonyms:
1-Butanone,3-methyl-1-phenyl-;Isovalerophenone;3-Methyl-1-phenyl-1-butanone;Isobutyl phenyl ketone;1-Phenyl-3-methyl-1-butanone;Phenyl isobutyl ketone;NSC 72033
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

Colorless to pale yellow liquid

Isobutyl phenyl ketone Basic Attributes

Molecular Weight：

162.232

Exact Mass：

162.23

EC Number：

209-489-7

UNII：

U263XQR51P

NSC Number：

72033

DSSTox ID：

DTXSID1060390

HScode：

2914399090

Characteristics

PSA：

17.1

XLogP3：

2.91540

Density：

0.985 g/cm³ @ Temp: 40 °C

Melting Point：

225-235 °C

Boiling Point：

236.5 °C

Flash Point：

89.7ºC

Refractive Index：

n20/D 1.512(lit.)

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36

Marks：

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

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|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Isobutyl phenyl ketone Use and Manufacturing

Manufacturing Info：

1-Butanone, 3-methyl-1-phenyl-: INACTIVE

Computed Properties

Molecular Weight:162.23
XLogP3:3
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