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2,4-Octanedione

2,4-Octanedione structure

CAS No:
14090-87-0
Formula:
C8H14O2
Chemical Name:
2,4-Octanedione
Synonyms:
2,4-Octanedione;Valerylacetone

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2,4-Octanedione Basic Attributes

Molecular Weight：

142.20 g/mol

Exact Mass：

142.20

EC Number：

237-937-1

UNII：

K72DM9EH73

DSSTox ID：

DTXSID30161491

Characteristics

PSA：

34.1 Å²

Density：

0.9233 g/cm³ @ Temp: 20 °C

Boiling Point：

192-193 °C @ Press: 755 Torr

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:142.20
XLogP3:1.2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:142.099379685
Monoisotopic Mass:142.099379685
Topological Polar Surface Area:34.1
Heavy Atom Count:10
Complexity:127
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2,4-Octanedione

Basic Attributes
Characteristics
Safety Information
Computed Properties

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