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493953

5-Methyl-1-hexanol

97%

Synonym(s):

5-Methylhexanol

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About This Item

Linear Formula:
(CH3)2CH(CH2)4OH
CAS Number:
627-98-5
Molecular Weight:
116.20
NACRES:
NA.22
PubChem Substance ID:
24872868
UNSPSC Code:
12352100
EC Number:
211-023-2
MDL number:
MFCD00072703
Assay:
97%
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Quality Segment

assay

97%

refractive index

n20/D 1.422 (lit.)

bp

167-168 °C (lit.)

density

0.823 g/mL at 25 °C (lit.)

functional group

hydroxyl

SMILES string

CC(C)CCCCO

InChI

1S/C7H16O/c1-7(2)5-3-4-6-8/h7-8H,3-6H2,1-2H3

InChI key

ZVHAANQOQZVVFD-UHFFFAOYSA-N

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

Pictograms

FlameExclamation mark
GHS02,GHS07

Signal Word

Warning

Hazard Codes

H226,H302,H315

Hazard Classifications

Acute Tox. 4 Oral - Flam. Liq. 3 - Skin Irrit. 2

Storage Class

3 - Flammable liquids

WGK

WGK 3

Flash Point (°F)

86.0 °F

Flash Point (°C)

30 °C

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