Dioxystearinsaeure

C₁₈H₃₆O₄CAS 120-87-6316.48 g/mol

Open in Covalent MOL file

Alcohol Carboxylic acid

Properties

Molecular formula: C₁₈H₃₆O₄
Molar mass: 316.48 g/mol
Exact mass: 316.2614 Da
logP: 4.27Crippen estimate
Polar surface area: 77.8 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 16

Hazards

Warning

H302 Harmful if swallowed90.7% of notifiers
H413 May cause long lasting harmful effects to aquatic life90.7% of notifiers

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P273, P301+P317, P330, P501

Identifiers

CAS number

120-87-6

SMILES

CCCCCCCCC(C(CCCCCCCC(=O)O)O)O

InChIKey

VACHUYIREGFMSP-UHFFFAOYSA-N

InChI

InChI=1S/C18H36O4/c1-2-3-4-5-7-10-13-16(19)17(20)14-11-8-6-9-12-15-18(21)22/h16-17,19-20H,2-15H2,1H3,(H,21,22)

Weigh it out

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

Names and synonyms

17 names · show all

9,10-Dihydroxyoctadecanoic acid
9,10-Dihydroxystearic acid
9,10-Dihydroxy-octadecanoic acid
9,10-Dihydroxystearinsaeure
9,10-Dihydroxystearate
Octadecanoic acid, 9,10-dihydroxy-
DHSA
Hydroxystearin
Contracyn
Octadecanoic acid,10-dihydroxy-
60154-91-8 (Lithium salt)
37734-46-6 (Potassium salt)
84682-00-8 (Magnesium salt)
Theta, etha - Dihydroxystearic acid
74220-13-6 (Di-calcium salt)
20731-55-9 (Hydrochloride salt)
9,10-Dihydroxyoctadecanoic acid, threo-

Reactions

9,10-DIHYDROXYSTEARIC ACID (low-melting isomer)product

Work with Dioxystearinsaeure

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

12-Hydroxystearic acid106-14-976 % similar 12-Hydroxystearic acid36377-33-076 % similar Pentadecylic acid1002-84-272 % similar Enanthic acid111-14-872 % similar Pelargonic acid112-05-072 % similar Undecylic acid112-37-872 % similar Behenic acid112-85-672 % similar Caprylic acid124-07-272 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook