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W508209

Sigma-Aldrich

3-Methyl-3-pentanol

≥98%, FG

Synonym(s):

Diethyl methyl carbinol

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About This Item

Linear Formula:
(CH3CH2)2C(CH3)OH
CAS Number:
Molecular Weight:
102.17
Beilstein:
1731456
EC Number:
MDL number:
UNSPSC Code:
12164502
PubChem Substance ID:
Flavis number:
2.184
NACRES:
NA.21

biological source

synthetic

Quality Level

grade

FG
Kosher

reg. compliance

EU Regulation 1334/2008 & 178/2002

Assay

≥98%

refractive index

n20/D 1.418 (lit.)

bp

123 °C (lit.)

mp

−38 °C (lit.)

density

0.824 g/mL at 25 °C (lit.)

application(s)

flavors and fragrances

Documentation

see Safety & Documentation for available documents

food allergen

no known allergens

Organoleptic

green; fruity

SMILES string

CCC(C)(O)CC

InChI

1S/C6H14O/c1-4-6(3,7)5-2/h7H,4-5H2,1-3H3

InChI key

FRDAATYAJDYRNW-UHFFFAOYSA-N

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General description

3-Methyl-3-pentanol is an aroma-active alcohol that occurs naturally in pandan leaves, red pepper and fruit of Lycii fructus.

Pictograms

FlameExclamation mark

Signal Word

Warning

Hazard Statements

Precautionary Statements

Hazard Classifications

Acute Tox. 4 Oral - Flam. Liq. 3

Storage Class Code

3 - Flammable liquids

WGK

WGK 3

Flash Point(F)

75.2 °F - closed cup

Flash Point(C)

24 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

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Volatiles from red pepper (Capsicum spp.).
Keller U, et al.
ACS Symp. Ser., 137?146-137?146 (1981)
Volatile composition of pandan leaves (Pandanus amaryllifolius).
Jiang J.
Flavor chemistry of ethnic foods, 105-109 (1999)
Aroma?Active Components of Lycii fructus (kukija).
Lee GH, et al.
Journal of Food Science, C500?C505-C500?C505 (2008)
Alfonso Pérez-Garrido et al.
Bioorganic & medicinal chemistry, 17(2), 896-904 (2008-12-06)
This paper reports a QSAR study for predicting the complexation of a large and heterogeneous variety of substances (233 organic compounds) with beta-cyclodextrins (beta-CDs). Several different theoretical molecular descriptors, calculated solely from the molecular structure of the compounds under investigation

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