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3-(Phenylmethylene)-2,4-pentanedione

3-(Phenylmethylene)-2,4-pentanedione structure

CAS No:
4335-90-4
Formula:
C12H12O2
Chemical Name:
3-(Phenylmethylene)-2,4-pentanedione
Synonyms:
2,4-Pentanedione,3-(phenylmethylene)-;2,4-Pentanedione,3-benzylidene-;3-(Phenylmethylene)-2,4-pentanedione;Benzylidene acetylacetone;3-Benzylideneacetylacetone;3-Benzylidene-2,4-pentanedione;Benzalacetylacetone;1,1-Diacetyl-2-phenylethylene;(2,2-Diacetylvinyl)benzene;NSC 35140

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3-(Phenylmethylene)-2,4-pentanedione Basic Attributes

Molecular Weight：

188.22

Exact Mass：

188.22

BRN：

972849

EC Number：

224-382-5

NSC Number：

35140

DSSTox ID：

DTXSID3063419

HScode：

2914399090

Characteristics

PSA：

34.1

XLogP3：

2.24800

Density：

1.081 g/mL at 25 °C(lit.)

Melting Point：

169 °C

Boiling Point：

150-152 °C @ Press: 15 Torr

Flash Point：

>230 °F

Refractive Index：

n20/D 1.583(lit.)

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36

RTECS Number：

SA1930000

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 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

3-(Phenylmethylene)-2,4-pentanedione Use and Manufacturing

Manufacturing Info：

2,4-Pentanedione, 3-(phenylmethylene)-: INACTIVE

Computed Properties

Molecular Weight:188.22
XLogP3:1.6
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:188.083729621
Monoisotopic Mass:188.083729621
Topological Polar Surface Area:34.1
Heavy Atom Count:14
Complexity:242
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-(Phenylmethylene)-2,4-pentanedione

Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties

3-(Phenylmethylene)-2,4-pentanedione

SDS

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