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2,4-Hexanedione

2,4-Hexanedione structure

CAS No:
3002-24-2
Formula:
C6H10O2
Chemical Name:
2,4-Hexanedione
Synonyms:
2,4-Hexanedione;Propionylacetone;NSC 88937
Categories:
Active Pharmaceutical Ingredients > Other Chemical Drugs

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Description

clear colourless to yellow liquid

2,4-Hexanedione Basic Attributes

Molecular Weight：

114.144

Exact Mass：

114.14

EC Number：

221-094-1

UNII：

FMD32E86EP

NSC Number：

88937

DSSTox ID：

DTXSID0062769

HScode：

2914190090

Characteristics

PSA：

34.1

XLogP3：

0.3

Appearance：

clear colourless to yellow liquid

Density：

0.9633 g/cm³ @ Temp: 15.6 °C

Melting Point：

197-198 °C @ Solvent: Ethanol

Boiling Point：

160 °C

Flash Point：

53.6±16.8 °C

Refractive Index：

1.406

Safety Information

Packing level：

Ⅲ

Hazard category：

3.2

Transport codes：

1224

hazard class code：

Precautionary statement(s)：

P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P312, P302+P352, P303+P361+P353, P304+P340, P311, P312, P321, P322, P330, P361, P363, P370+P378, P403+P233, P403+P235, P405, P501

Hazard Statements：

H226

GHS Classification：

|Danger|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P312, P302+P352, P303+P361+P353, P304+P340, P311, P312, P321, P322, P330, P361, P363, P370+P378, P403+P233, P403+P235, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Drug Information

MeSH Entry Terms：

2,4-hexanedione

2,4-Hexanedione Use and Manufacturing

Manufacturing Info：

2,4-Hexanedione: ACTIVE

Computed Properties

Molecular Weight:114.14
XLogP3:0.3
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:114.068079557
Monoisotopic Mass:114.068079557
Topological Polar Surface Area:34.1
Heavy Atom Count:8
Complexity:105
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes