59090

Sigma-Aldrich

3-Methylbutanol

puriss. p.a., ACS reagent, ≥98.5% (GC)

Synonym(s):
Isopentyl alcohol, Isoamyl alcohol, 3-Methyl-1-butanol
Linear Formula:
(CH3)2CHCH2CH2OH
CAS Number:
Molecular Weight:
88.15
Beilstein/REAXYS Number:
1718835
EC Number:
MDL number:
PubChem Substance ID:
NACRES:
NA.21

Quality Level

grade

ACS reagent
puriss. p.a.

vapor density

3 (vs air)

vapor pressure

2 mmHg

assay

≥98.5% (GC)

form

liquid

expl. lim.

0.34-6.3 %

application(s)

gas chromatography (GC): suitable

impurities

≤0.01% acid (as CH3COOH)
≤0.06% acids, esters (as CH3COOC5H11)
≤0.1% 2-Methylbutanol
≤0.1% carbonyl compounds (as HCHO)
≤0.3% water

evapn. residue

≤0.003%

refractive index

n20/D 1.407

pH

5.6 (20 °C, 25 g/L)

bp

131-132 °C

mp

-117 °C

density

0.809 g/mL at 20 °C (lit.)

cation traces

Al: ≤0.5 mg/kg
Ba: ≤0.1 mg/kg
Bi: ≤0.1 mg/kg
Ca: ≤0.5 mg/kg
Cd: ≤0.05 mg/kg
Co: ≤0.02 mg/kg
Cr: ≤0.02 mg/kg
Cu: ≤0.02 mg/kg
Fe: ≤0.1 mg/kg
K: ≤0.5 mg/kg
Li: ≤0.1 mg/kg
Mg: ≤0.1 mg/kg
Mn: ≤0.02 mg/kg
Mo: ≤0.1 mg/kg
Na: ≤2 mg/kg
Ni: ≤0.02 mg/kg
Pb: ≤0.1 mg/kg
Sr: ≤0.1 mg/kg
Zn: ≤0.1 mg/kg

SMILES string

CC(C)CCO

InChI

1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3

InChI key

PHTQWCKDNZKARW-UHFFFAOYSA-N

Looking for similar products? Visit Product Comparison Guide

General description

3-Methylbutanol (3-Methyl-1-butanol, Isoamyl alcohol, Isopentyl alcohol) has been identified as a tomato aroma compound. The ′Ascending method of limits′ has been proposed to evaluate its odor threshold value in tomato (Lycopersicon esculentum Mill.) homogenates. It has been reported to exhibit high flavor dilution factor during the gas chromatographic/olfactometric (GC/O) determination of Scheurebe and Gewürztraminer wines. It is one of the aroma-active compound responsible for fruity and nail polish-like odor in apple ciders and for rancid, nail polish-like odor in Yanghe Daqu liquor.

Application

3-Methylbutanol has been used for the synthesis of 3-methylbutyl octanoate by reaction with octanoic acid.

Signal Word

Danger

Target Organs

Respiratory system

RIDADR

UN1105 - class 3 - PG 3 - Pentanols

WGK Germany

WGK 1

Flash Point(F)

109.4 °F - closed cup

Flash Point(C)

43 °C - closed cup

Certificate of Analysis

Certificate of Origin

Aroma perception of individual volatile compounds in fresh tomatoes (Lycopersicon esculentum, Mill.) as affected by the medium of evaluation.
Tandon KS, et al.
Postharvest biology and technology, 20(3), 261-268 (2000)
Yan Xu et al.
Journal of agricultural and food chemistry, 55(8), 3051-3057 (2007-03-16)
The aroma-active compounds in two apple ciders were identified using gas chromatography-olfactometry (GC-O) and GC-mass spectrometry (MS) techniques. The volatile compounds were extracted using solvent-assisted flavor evaporation (SAFE) and headspace solid-phase microextraction (HS-SPME). On the basis of odor intensity, the...
Identification of character impact odorants of different white wine varieties.
Guth H.
Journal of Agricultural and Food Chemistry, 45(8), 3022-3026 (1997)
Identification of aroma compounds in Chinese 'Yanghe Daqu'liquor by normal phase chromatography fractionation followed by gas chromatography [sol] olfactometry.
Fan W and Qian MC.
Flavour and Fragrance Journal, 21(2), 333-342 (2006)
Mary J Dunlop et al.
Molecular systems biology, 7, 487-487 (2011-05-11)
Many compounds being considered as candidates for advanced biofuels are toxic to microorganisms. This introduces an undesirable trade-off when engineering metabolic pathways for biofuel production because the engineered microbes must balance production against survival. Cellular export systems, such as efflux...

Our team of scientists has experience in all areas of research including Life Science, Material Science, Chemical Synthesis, Chromatography, Analytical and many others.

Contact Technical Service

Social Media

LinkedIn icon
Twitter icon
Facebook Icon
Instagram Icon

MilliporeSigma

Research. Development. Production.

We are a leading supplier to the global Life Science industry with solutions and services for research, biotechnology development and production, and pharmaceutical drug therapy development and production.

© 2021 Merck KGaA, Darmstadt, Germany and/or its affiliates. All Rights Reserved.

Reproduction of any materials from the site is strictly forbidden without permission.