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1-(3-methylphenyl)butan-1-one

1-(3-methylphenyl)butan-1-one structure

CAS No:
21550-12-9
Formula:
C11H14O
Chemical Name:
1-(3-methylphenyl)butan-1-one
Synonyms:
1-m-Tolyl-butan-1-on; 1-m-tolylbutan-1-one; m-METHYL BUTYROPHENONE; 3'-Methyl-Butyrophenone; 31-Oxo-1-methyl-3-butyl-benzol;

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1-(3-methylphenyl)butan-1-one Basic Attributes

Molecular Weight：

162.22800

Exact Mass：

162.104465066

DSSTox ID：

DTXSID80401753

HScode：

2914399090

Characteristics

PSA：

17.07000

XLogP3：

2.97780

Density：

0.952g/cm3

Boiling Point：

248.9ºC at 760 mmHg

Flash Point：

110.2ºC

Refractive Index：

1.503

Vapor Pressure：

0.0236mmHg at 25°C

Safety Information

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:162.23
XLogP3:2.8
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:151
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-(3-methylphenyl)butan-1-one

Basic Attributes
Characteristics
Safety Information
Computed Properties

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