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493953

Sigma-Aldrich

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
EC Number:
211-023-2
MDL number:
MFCD00072703
UNSPSC Code:
12352100
PubChem Substance ID:
24872868
NACRES:
NA.22

Quality Level

100

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

Related Categories

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 Statements

H226,H302,H315

Hazard Classifications

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

Storage Class Code

3 - Flammable liquids

WGK

WGK 3

Flash Point(F)

86.0 °F

Flash Point(C)

30 °C

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Certificates of Analysis (COA)

Lot/Batch Number
MKCN3401
MKCD9441
MKBP8353V
MKBJ3031
MKBD3715

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Richard Splivallo et al.
Phytochemistry, 68(20), 2584-2598 (2007-06-19)
Stir bar sorptive extraction (SBSE) was applied in head space mode (HS), coupled with GC/MS, to compare the aroma profile of three truffle species. A total of 119 volatile organic compounds (VOCs) were identified from the fruiting bodies, of which
Coralia V Garcia et al.
Food chemistry, 137(1-4), 45-54 (2012-12-04)
Bound volatiles are recognised as a potential source of aroma compounds in fruits. In this study, the bound volatiles of Actinidia deliciosa 'Hayward' and A. chinensis 'Hort16A' were studied at three different ripening stages. The bound volatile content tended to
Prediction of odours of aliphatic alcohols and carbonylated compounds using fuzzy partition and self organising maps (SOM).
Audouze K, et al.
Analusis, 28(7), 625-632 (2000)
GC-MS evaluation of bioactive compounds and antibacterial activity of the oil fraction from the leaves of Alstonia boonei De Wild.
Okwu DE and Ighodaro BU.
Der Pharma Chemica, 2(1), 261-262 (2010)
Nicolas Durand et al.
PloS one, 5(11), e15026-e15026 (2010-12-03)
Carboxyl/cholinesterases (CCEs) are highly diversified in insects. These enzymes have a broad range of proposed functions, in neuro/developmental processes, dietary detoxification, insecticide resistance or hormone/pheromone degradation. As few functional data are available on purified or recombinant CCEs, the physiological role
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