ChemicalBook--->CAS DataBase List--->1653-40-3

1653-40-3

1653-40-3 Structure

1653-40-3 Structure
IdentificationBack Directory
[Name]

6-Methylheptanol
[CAS]

1653-40-3
[Synonyms]

6-methylheptanol
6-methyl-1-heptano
6-METHYL-1-HEPTANOL
6-methylheptan-1-ol
6-methyl-heptan-1-ol
1-HEPTANOL,6-METHYL-
6-Methylheptanol (90%)
6-Methyl-1-heptyl Alcohol
6-Methyl-1-heptyl Alcohol (unlabelled)
[Molecular Formula]

C8H18O
[MDL Number]

MFCD00060842
[MOL File]

1653-40-3.mol
[Molecular Weight]

130.23
Chemical PropertiesBack Directory
[Melting point ]

-106°C
[Boiling point ]

187°C
[density ]

0.8175
[refractive index ]

1.4255
[storage temp. ]

Refrigerator
[solubility ]

Acetonitrile (Slightly), Chloroform (Soluble), Methanol (Slightly)
[form ]

Oil
[pka]

15.20±0.10(Predicted)
[color ]

Colourless
[Dielectric constant]

10.199999999999999
[InChI]

InChI=1S/C8H18O/c1-8(2)6-4-3-5-7-9/h8-9H,3-7H2,1-2H3
[InChIKey]

BWDBEAQIHAEVLV-UHFFFAOYSA-N
[SMILES]

C(O)CCCCC(C)C
[LogP]

2.721 (est)
[EPA Substance Registry System]

6-Methyl-1-heptanol (1653-40-3)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H319-H335-H315
[Precautionary statements ]

P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Hazard InformationBack Directory
[Uses]

6-Methylheptanol is a volatile compound used as flavor and fragrance agent.
[Definition]

ChEBI: 6-methylheptan-1-ol is a primary alcohol that is heptane which is substituted by a methyl group at position 6 and a hydroxy group at position 1. It has a role as a mammalian metabolite. It is a primary alcohol and a volatile organic compound.
[Synthesis Reference(s)]

The Journal of Organic Chemistry, 36, p. 2902, 1971 DOI: 10.1021/jo00818a045
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