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77664

3-Methyl-1-butanol

analytical standard

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
UNSPSC Code:
85151701
NACRES:
NA.24
PubChem Substance ID:
329767856
EC Number:
204-633-5
Beilstein/REAXYS Number:
1718835
MDL number:
MFCD00002934
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grade

analytical standard

Quality Level

100

vapor density

3 (vs air)

vapor pressure

2 mmHg ( 20 °C)

assay

≥98.5% (GC)

autoignition temp.

644 °F

shelf life

limited shelf life, expiry date on the label

expl. lim.

1.2-9 %, 100 °F

technique(s)

HPLC: suitable, gas chromatography (GC): suitable

impurities

≤0.3% water

refractive index

n20/D 1.406 (lit.)

bp

130 °C (lit.)

mp

−117 °C (lit.)

density

0.809 g/mL at 25 °C (lit.)

application(s)

cleaning products
cosmetics
flavors and fragrances
food and beverages
personal care

format

neat

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

General description

3-Methyl-1-butanol is a potential fuel additive, which is a natural product of fungus and yeast fermentation.

Application

3-Methyl-1-butanol is used as a precursor for the synthesis of various chemicals, such as isoamyl acetate. It may be used as a reference standard for the analysis of 3-methyl-1-butanol content in honey samples using gas chromatography coupled with mass spectrometry (GC-MS).
Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.

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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

WGK 1

flash_point_f

110.3 °F - closed cup

flash_point_c

43.5 °C - closed cup

Regulatory Information

危险化学品

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Certificates of Analysis (COA)

Lot/Batch Number
BCCG9499
BCCF2845
BCCC8460
BCCB4666
BCCB1957

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Contribution of dynamic headspace GC-MS analysis of aroma compounds to authenticity testing of honey.
Radovic SB, et al.
Food Chemistry, 72(4), 511-520 (2001)
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
Silvio Zaina et al.
Circulation. Cardiovascular genetics, 7(5), 692-700 (2014-08-06)
Epigenetic alterations may contribute to the development of atherosclerosis. In particular, DNA methylation, a reversible and highly regulated DNA modification, could influence disease onset and progression because it functions as an effector for environmental influences, including diet and lifestyle, both
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Global Trade Item Number

SKUGTIN
77664-1ML04061838820310
77664-5ML04061832940434