2-Ethyl-1-butanol

C₆H₁₄OCAS 97-95-0102.18 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₁₄O
Molar mass: 102.18 g/mol
Exact mass: 102.1045 Da
Density: 0.8326 g/mL (at 20 °C)
Melting point: below −15 °C
Boiling point: 146.27 °C
logP: 1.41Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 3

Identifiers

CAS number

97-95-0

SMILES

CCC(CC)CO

InChIKey

TZYRSLHNPKPEFV-UHFFFAOYSA-N

InChI

InChI=1S/C6H14O/c1-3-6(4-2)5-7/h6-7H,3-5H2,1-2H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

5 names

1-Butanol, 2-ethyl-
2-Ethylbutyl alcohol
3-Methylolpentane
Pseudohexyl alcohol
NSC 8858

Work with 2-Ethyl-1-butanol

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

2-Ethylhexanol104-76-759 % similar 2-(Hydroxymethyl)-1,3-propanediol4704-94-353 % similar 2-Ethylhexyl titanate1070-10-652 % similar 2-Methyl-1-butanol137-32-650 % similar (S)-2-Methyl-1-butanol1565-80-650 % similar 1,2-Butanediol26171-83-550 % similar 2-Methyl-1-butanol34713-94-550 % similar (2R)-1,2-Butanediol40348-66-150 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-Methyl-1-pentanol105-30-6 4-Methyl-2-pentanol108-11-2 Diisopropyl ether108-20-3 1-Hexanol111-27-3 Di-N-propyl ether111-43-3 Pinacolyl alcohol464-07-3 2-Methyl-3-pentanol565-67-3 3-Methyl-1-pentanol589-35-5

Elsewhere

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