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320021

Sigma-Aldrich

3-Methyl-1-butanol

ACS reagent, ≥98.5%

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

grade

ACS reagent

Quality Level

vapor density

3 (vs air)

vapor pressure

2 mmHg ( 20 °C)

Assay

≥98.5%

form

liquid

autoignition temp.

644 °F

expl. lim.

1.2-9 %, 100 °F

impurities

≤0.002 meq/g Titr. acid
≤0.1% carbonyl (as HCHO)
≤0.2% acids and esters (as amyl acetate)
≤0.5% water

evapn. residue

≤0.003%

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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General description

3-methyl-1-butanol is a clear, colorless alcohol. It is one of several isomers of amyl alcohol. It is commonly used as a solvent in various applications, such as inks, coatings, and pharmaceutical preparations.

Application

3-Methyl-1-butanol is used as a:
  • Dissolution of a wide range of organic compounds and is often employed for extraction, dilution, and preparation of samples for analysis.
  • Starting material or reagent in organic synthesis. It can be incorporated into various reactions to introduce the isoamyl group or alcohol functionality into target molecules.

Signal Word

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 Code

3 - Flammable liquids

WGK

WGK 1

Flash Point(F)

110.3 °F - closed cup

Flash Point(C)

43.5 °C - closed cup

Regulatory Information

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Pentanol isomer synthesis in engineered microorganisms
Cann AF,et al.
Applied Microbiology and Biotechnology, 85, 893-899 (2010)
Journal of AOAC International
Kim HM, et al.
Journal of AOAC (Association of Official Analytical Chemists) International, 100(5), 1492-1499 (2017)
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
Frédéric Ravyts et al.
Food microbiology, 27(7), 945-954 (2010-08-07)
Differences in the production of bacterial metabolites with potential impact on fermented sausage flavour were found in meat simulation medium when comparing different strains of Staphylococcus xylosus and Staphylococcus carnosus as starter cultures. Overall, higher levels of 3-methyl-1-butanol and acetoin
Maud Contrant et al.
Nucleic acids research, 42(12), 7981-7996 (2014-05-17)
Micro (mi)RNAs are small non-coding RNAs with key regulatory functions. Recent advances in the field allowed researchers to identify their targets. However, much less is known regarding the regulation of miRNAs themselves. The accumulation of these tiny regulators can be

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