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3,3-dimethyl-1-phenylbutan-1-one

3,3-dimethyl-1-phenylbutan-1-one structure

CAS No:
31366-07-1
Formula:
C12H16O
Chemical Name:
3,3-dimethyl-1-phenylbutan-1-one
Synonyms:
3,3-dimethyl-1-phenyl-butan-1-one; 3,3-dimethyl-1-phenyl-1-butanone; 1-Butanone,3,3-dimethyl-1-phenyl; 3,3-Dimethylbutyrophenone; 3,3-Dimethyl-1-phenyl-butan-1-on; neopentyl phenyl ketone;Expand

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3,3-dimethyl-1-phenylbutan-1-one Basic Attributes

Molecular Weight：

176.25500

Exact Mass：

176.120115130

DSSTox ID：

DTXSID60446364

HScode：

2914399090

Characteristics

PSA：

17.07000

XLogP3：

3.30550

Density：

0.942g/cm3

Boiling Point：

247.3ºC

Flash Point：

96ºC

Refractive Index：

1.497

Safety Information

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:176.25
XLogP3:3.4
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:176.120115130
Monoisotopic Mass:176.120115130
Topological Polar Surface Area:17.1
Heavy Atom Count:13
Complexity:170
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3,3-dimethyl-1-phenylbutan-1-one

Basic Attributes
Characteristics
Safety Information
Computed Properties

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