Isoamyl alcohol

C₅H₁₂OCAS 123-51-388.15 g/mol

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Properties

Molecular formula: C₅H₁₂O
Molar mass: 88.15 g/mol
Exact mass: 88.0888 Da
Density: 0.813 g/mL (at 15 °C)
Melting point: −117.2 °C
Boiling point: 132.5 °C
Flash point: 42 °C (closed cup)
Water solubility: 25 g/L
logP: 1.02Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 2

Hazards

Danger

H226 Flammable liquid and vapor99.2% of notifiers
H302 Harmful if swallowed17.7% of notifiers
H315 Causes skin irritation69.5% of notifiers
H318 Causes serious eye damage10.3% of notifiers
H319 Causes serious eye irritation70.4% of notifiers
H332 Harmful if inhaled80.5% of notifiers
H335 May cause respiratory irritation82.6% of notifiers

Aggregated from 2,589 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

123-51-3

SMILES

CC(C)CCO

InChIKey

PHTQWCKDNZKARW-UHFFFAOYSA-N

InChI

InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3

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Names and synonyms

13 names · show all

1-Butanol, 3-methyl-
Isopentyl alcohol
3-Methyl-1-butanol
Isoamylol
Isopentanol
2-Methyl-4-butanol
Isobutyl carbinol
iso-Amyl alcohol
iso-Pentanol
3-Methylbutyl alcohol
NSC 1029
NSC 7905
3-Methylbutane-1-ol

Safety data sheets

One stored sheet lists this compound in section 3, matched by the CAS number 123-51-3. Each row opens the sheet with its composition and PDF.

3-Methyl-1-butanol ≤ 100 %Fisher Scientific UK · 2023-10-06

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Work with Isoamyl alcohol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Isohexanol626-89-167 % similar Isooctan-1-ol26952-21-660 % similar Isostearyl alcohol27458-93-160 % similar 3,7-Dimethyl-1-octanol106-21-859 % similar 3-Methyl-1,5-pentanediol4457-71-056 % similar 2,5-Dimethylhexane592-13-253 % similar 2-Cyclopropylethanol2566-44-153 % similar 1,3-Butanediol107-88-050 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Methyl-1-butanol137-32-6 (S)-2-Methyl-1-butanol1565-80-6 Methyl tert-butyl ether1634-04-4 (+)-2-Pentanol26184-62-3 1-Pentanol30899-19-5 (2R)-Pentan-2-ol31087-44-2 2-Methyl-1-butanol34713-94-5 3-Pentanol584-02-1

Elsewhere

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