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309435

Sigma-Aldrich

3-Methyl-1-butanol

anhydrous, ≥99%

Synonym(s):

Isoamyl alcohol, Isopentyl alcohol

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About This Item

Linear Formula:
(CH3)2CHCH2CH2OH
CAS Number:
123-51-3
Molecular Weight:
88.15
Beilstein/REAXYS Number:
1718835
EC Number:
204-633-5
MDL number:
MFCD00002934
UNSPSC Code:
12352001
PubChem Substance ID:
57648492
NACRES:
NA.21

grade

anhydrous

Quality Level

100

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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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.

signalword

Danger

Hazard Classifications

Acute Tox. 4 Inhalation - Eye Dam. 1 - Flam. Liq. 3 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

3 - Flammable liquids

wgk_germany

WGK 1

flash_point_f

110.3 °F - closed cup

flash_point_c

43.5 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

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Certificates of Analysis (COA)

Lot/Batch Number
SHBS1977
SHBS2039
SHBR4971
SHBS1740
SHBR4904

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Waser EBH and Mollering H
Organic Syntheses, 9, 84-84 (1929)
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
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)
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.
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Identification of character impact odorants of different white wine varieties.
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