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ChemicalBook--->CAS DataBase List--->627-98-5

627-98-5

627-98-5 Structure

627-98-5 Structure
IdentificationBack Directory
[Name]

5-METHYL-1-HEXANOL
[CAS]

627-98-5
[Synonyms]

5-METHYLHEXANOL
ISOHEPTYL ALCOHOL
5-methylhexan-1-ol
5-METHYL-1-HEXANOL
1-Hexanol, 5-methyl-
Isometheptene Impurity B
2-butyl-5-methyl-hexanoic acid
3-hydroxy-7-methyloctanoic acid
[EINECS(EC#)]

211-023-2
[Molecular Formula]

C7H16O
[MDL Number]

MFCD00072703
[MOL File]

627-98-5.mol
[Molecular Weight]

116.2
Chemical PropertiesBack Directory
[Melting point ]

-30.45°C (estimate)
[Boiling point ]

167-168 °C (lit.)
[density ]

0.823 g/mL at 25 °C (lit.)
[refractive index ]

n20/D 1.422(lit.)
[Fp ]

165 °F
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

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

Oil
[pka]

15.20±0.10(Predicted)
[color ]

Colourless
[LogP]

2.290 (est)
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

22-38
[Safety Statements ]

26
[RIDADR ]

UN 1987 3/PG 3
[WGK Germany ]

3
[HazardClass ]

IRRITANT
Hazard InformationBack Directory
[Uses]

5-Methylhexanol is an intermediate used in the synthesis of flavolipids as antitumor agents.
[General Description]

5-Methyl-1-hexanol, an aliphatic alcohol, can be prepared by the reduction of 5-methylhexanoic acid. It is predicted to have a fruity odor based on fuzzy partition and self organising maps (SOM) analysis data.
5-Methyl-1-hexanol is a volatile organic compound found in:
  • Alstonia boonei leaves
  • ‘Hayward′ and ‘Hort16A′ kiwifruit
  • Tuber melanosporum fruiting body
Spectrum DetailBack Directory
[Spectrum Detail]

5-METHYL-1-HEXANOL(627-98-5)1HNMR
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