10-Hydroxydecanoic acid

C₁₀H₂₀O₃CAS 1679-53-4188.27 g/mol

Open in Covalent MOL file

Alcohol Carboxylic acid

Properties

Molecular formula: C₁₀H₂₀O₃
Molar mass: 188.27 g/mol
Exact mass: 188.1412 Da
Melting point: 75.5–76.5 °C
logP: 2.18Crippen estimate
Polar surface area: 57.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 9

Hazards

Warning

H315 Causes skin irritation17.9% of notifiers
H319 Causes serious eye irritation17.9% of notifiers
H335 May cause respiratory irritation14.3% of notifiers

Aggregated from 28 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

1679-53-4

SMILES

O=C(O)CCCCCCCCCO

InChIKey

YJCJVMMDTBEITC-UHFFFAOYSA-N

InChI

InChI=1S/C10H20O3/c11-9-7-5-3-1-2-4-6-8-10(12)13/h11H,1-9H2,(H,12,13)

Weigh it out

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

Names and synonyms

2 names

Decanoic acid, 10-hydroxy-
NSC 15139

Work with 10-Hydroxydecanoic acid

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

11-Hydroxyundecanoic acid3669-80-5100 % similar 9-Hydroxynonanoic acid3788-56-5100 % similar 15-Hydroxypentadecanoic acid4617-33-8100 % similar 12-Hydroxydodecanoic acid505-95-3100 % similar Juniperic acid506-13-8100 % similar Polybutylene succinate25777-14-481 % similar Pimelic acid111-16-075 % similar Sebacic acid111-20-675 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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