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1-phenylbutane-1,2-dione

1-phenylbutane-1,2-dione structure

CAS No:
3457-55-4
Formula:
C10H10O2
Chemical Name:
1-phenylbutane-1,2-dione
Synonyms:
1-phenyl-1,2-butanedione; 1-phenylbutan-1,2-dione; 1,2-dioxo-1-phenylbutane; 1-Phehylbutan-1,2-dione; Phenyl-1,2-Butanedione; 1-phenyl-butane-1,2-dione;Expand

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1-phenylbutane-1,2-dione Basic Attributes

Molecular Weight：

162.18500

Exact Mass：

162.068079557 g/mol

NSC Number：

1085

DSSTox ID：

DTXSID40277193

Characteristics

PSA：

34.14000

XLogP3：

1.84840

Density：

1.073g/cm3

Boiling Point：

245.8ºC

Flash Point：

92.5ºC

Refractive Index：

1.515

Safety Information

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|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:162.18
XLogP3:1.7
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:162.068079557
Monoisotopic Mass:162.068079557
Topological Polar Surface Area:34.1
Heavy Atom Count:12
Complexity:178
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-phenylbutane-1,2-dione

Basic Attributes
Characteristics
Safety Information
Computed Properties

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