309435

Sigma-Aldrich

3-Methyl-1-butanol

anhydrous, ≥99%

Synonym(s):
Isopentyl alcohol, Isoamyl alcohol
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

anhydrous

vapor density

3 (vs air)

vapor pressure

2 mmHg ( 20 °C)

assay

≥99%

form

liquid

autoignition temp.

644 °F

expl. lim.

1.2-9 %, 100 °F

impurities

<0.003% water
<0.005% water (100 mL pkg)

evapn. residue

<0.0005%

refractive index

n20/D 1.406 (lit.)

pH

5.6 (20 °C, 25 g/L)

bp

130 °C (lit.)

mp

−117 °C (lit.)

density

0.809 g/mL at 25 °C (lit.)

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

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Related Categories

Application

3-Methyl-1-butanol may be used as a solvent in the preparation of ac-tetrahydro-β-naphthylamine from β-naphthylamine via reduction using sodium.

Packaging

1 L in Sure/Seal™
100 mL in Sure/Seal™

Signal Word

Danger

Target Organs

Respiratory system

Personal Protective Equipment

dust mask type N95 (US),Eyeshields,Gloves

RIDADR

UN1105 - class 3 - PG 3 - Pentanols

WGK Germany

WGK 1

Flash Point(F)

110.3 °F - closed cup

Flash Point(C)

43.5 °C - closed cup

Certificate of Analysis

Certificate of Origin

ac-Tetrahydro-?-naphthylamine
Waser EBH and Mollering H
Organic Syntheses, 9, 84-84 (1929)
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)
Michael R Connor et al.
Applied and environmental microbiology, 74(18), 5769-5775 (2008-08-05)
3-Methyl-1-butanol is a potential fuel additive or substitute. Previously this compound was identified in small quantities in yeast fermentation as one of the fusel alcohols. In this work, we engineered an Escherichia coli strain to produce 3-methyl-1-butanol from glucose via...
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)

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