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4-HEXEN-3-ONE,5-HYDROXY

4-HEXEN-3-ONE,5-HYDROXY structure

CAS No:
7307-03-1
Formula:
C6H10O2
Chemical Name:
4-HEXEN-3-ONE,5-HYDROXY
Synonyms:
Nsc128130;NSC 78668;Isobutyrylacetone;4-HEXEN-3-ONE,5-HYDROXY;5-Methyl-2,4-hexanedione (enol);5-Methylhexane-2,4-dione, keto form;5-methyl-2,4-hexanedione(SALTDATA: FREE)
Categories:
Chemical Reagents > Organic Reagents

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4-HEXEN-3-ONE,5-HYDROXY Basic Attributes

Molecular Weight：

114.14200

Exact Mass：

114.06800

NSC Number：

128130

DSSTox ID：

DTXSID30223341

HScode：

2914190090

Characteristics

PSA：

37.30000

XLogP3：

1.42730

Density：

0.924g/cm3

Boiling Point：

175.9ºC at 760 mmHg

Flash Point：

60.2ºC

Refractive Index：

1.411

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

Marks：

Hazard Statements：

H302

GHS Classification：

|Warning|H227 (100%): Combustible liquid [Warning Flammable liquids]|P210, P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, 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.

Computed Properties

Molecular Weight:128.17
XLogP3:0.8
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:128.083729621
Monoisotopic Mass:128.083729621
Topological Polar Surface Area:34.1
Heavy Atom Count:9
Complexity:125
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes