12-Hydroxystearic acid

C18H36O3CAS 36377-33-0300.48 g/mol

Open in Covalent MOL file
OHOOH
AlcoholCarboxylic acid

Properties

Molecular formula
C18H36O3
Molar mass
300.48 g/mol
Exact mass
300.2664 Da
Melting point
82 °C
Water solubility
insoluble
logP
5.30Crippen estimate
Polar surface area
57.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
16

Hazards

Warning
Irritant (GHS07)Environmental Hazard (GHS09)

Aggregated from 507 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number
36377-33-0
SMILES
CCCCCCC(O)CCCCCCCCCCC(=O)O
InChIKey
ULQISTXYYBZJSJ-UHFFFAOYSA-N
InChI
InChI=1S/C18H36O3/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21/h17,19H,2-16H2,1H3,(H,20,21)

Weigh it out

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

Names and synonyms

27 names · show all
  • Octadecanoic acid, 12-hydroxy-
  • Stearic acid, λ-hydroxy-
  • 12-Hydroxyoctadecanoic acid
  • Hydrofol acid 200
  • Harwax A
  • Cerit fac 3
  • Barolub FTO
  • Ceroxin GL
  • Loxiol G 21
  • KOW
  • G 21
  • 12-HSA
  • DL-12-Hydroxystearic acid
  • DL-12-Hydroxyoctadecanoic acid
  • Solsperse 2000
  • Hoctol A
  • HSIM 160
  • Hydroxystearin R
  • NSC 2385
  • ADK Stab LS 12
  • Pelemol HSA
  • H 0308
  • Solid X
  • 12HAS-I
  • HSA
  • 12-Hydroacid
  • 12-Hydroacid HP

Work with 12-Hydroxystearic 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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Lithium 12-hydroxystearate7620-77-1Salt 12-Hydroxystearic acid106-14-9

Similar compounds

Dioxystearinsaeure120-87-676 % similar Glyceryl stearate11099-07-374 % similar Glyceryl caprylate caprate65381-09-174 % similar Glyceryl behenate77538-19-374 % similar (R)-3-Hydroxytetradecanoic acid28715-21-173 % similar Pentadecylic acid1002-84-272 % similar Enanthic acid111-14-872 % similar Pelargonic acid112-05-072 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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