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59090 Sigma-Aldrich

3-Methylbutanol

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

Synonym: 3-Methyl-1-butanol, Isoamyl alcohol, Isopentyl alcohol

  • CAS Number 123-51-3

  • Linear Formula (CH3)2CHCH2CH2OH

  • Molecular Weight 88.15

  •  Beilstein/REAXYS Number 1718835

  •  EC Number 204-633-5

  •  MDL number MFCD00002934

  •  PubChem Substance ID 329758574

  •  NACRES NA.21

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Properties

Related Categories ACS Grade, Amber Glass Bottles, Analytical Reagents, Analytical Reagents for General Use, Analytical/Chromatography,
Quality Level   200
grade   ACS reagent
vapor density   3 (vs air)
vapor pressure   2 mmHg
grade   puriss. p.a.
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

Description

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.

Safety & Documentation

Safety Information

Symbol 
Signal word 
Danger
Hazard statements 
Target organs 
Respiratory system
RIDADR 
UN1105 - class 3 - PG 3 - Pentanols
WGK Germany 
WGK 1
RTECS 
EL5425000
Flash Point(F) 
109.4 °F - closed cup
Flash Point(C) 
43 °C - closed cup

Documents

Certificate of Analysis (COA)

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Protocols & Articles

Articles

Pressure-Temperature Calculator for Solvents

*Calculations provide estimated results based on Antoine's Coefficients and their associated temperature range values. Antoine's Coefficients were obtained from the National Institute of Standards an...

Peer-Reviewed Papers
15

References

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