ChemicalBook--->CAS DataBase List--->65405-68-7

65405-68-7

65405-68-7 Structure

65405-68-7 Structure
IdentificationBack Directory
[Name]

3-(hydroxymethyl)heptan-2-one
[CAS]

65405-68-7
[Synonyms]

3-OCTANON-1-OL
OCTAN-3-ONE-1-OL
3-(HYDROXYMETHYL)-2-HEPTANONE
3-(hydroxymethyl)heptan-2-one
2-Heptanone, 3-(hydroxymethyl)-
3-(hydroxymethyl)heptan-2-one USP/EP/BP
[EINECS(EC#)]

265-739-5
[Molecular Formula]

C8H16O2
[MDL Number]

MFCD21604306
[MOL File]

65405-68-7.mol
[Molecular Weight]

144.211
Chemical PropertiesBack Directory
[Boiling point ]

112-113 °C(Press: 11 Torr)
[density ]

0.9374 g/cm3
[FEMA ]

2804 | 3-(HYDROXYMETHYL)-2-HEPTANONE
[storage temp. ]

2-8°C
[pka]

14.44±0.10(Predicted)
[Odor]

at 1.00 % in dipropylene glycol. fruity herbal spicy
[Odor Type]

herbal
[JECFA Number]

604
[LogP]

1.16
[EPA Substance Registry System]

2-Heptanone, 3-(hydroxymethyl)- (65405-68-7)
Hazard InformationBack Directory
[Chemical Properties]

3-Octanon-1-ol has a powerful, fruity, herbaceous, spicy odor. The odor is slightly bitter above 20 ppm; otherwise, warm and fruity.
[Definition]

ChEBI: 3-(Hydroxymethyl)-2-heptanone is an aliphatic alcohol.
[Preparation]

By partial hydrogenation of the corresponding di-ketone at 100°C over Raney-Ni in methanol solution; also by condensation of methyl amyl ketone with formaldehyde under mildly alkaline conditions.
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