chempirical

Isostearic acid

C18H36O2CAS 2724-58-5284.48 g/mol

Open in Covalent MOL file
OOH
Carboxylic acid

Properties

Molecular formula
C18H36O2
Molar mass
284.48 g/mol
Exact mass
284.2715 Da
Melting point
67.8–68.5 °C
logP
6.19Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
15

Hazards

Warning
Irritant (GHS07)

Aggregated from 148 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P280, P302+P352, P321, P332+P317, P362+P364

Identifiers

CAS number
2724-58-5
SMILES
CC(C)CCCCCCCCCCCCCCC(=O)O
InChIKey
XDOFQFKRPWOURC-UHFFFAOYSA-N
InChI
InChI=1S/C18H36O2/c1-17(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(19)20/h17H,3-16H2,1-2H3,(H,19,20)

Weigh it out

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

Names and synonyms

7 names
  • Heptadecanoic acid, 16-methyl-
  • 16-Methylheptadecanoic acid
  • Isooctadecanoic acid
  • Emersol 873
  • Prisorine 3509
  • Ar prisorine 3505
  • 16-Methylmargaric acid

Work with Isostearic 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

Isononanoic acid26896-18-4100 % similar Isooctanoic acid25103-52-096 % similar 5-Methylhexanoic acid628-46-684 % similar Isopropyl triisostearoyl titanate61417-49-077 % similar 4-Methylpentanoic acid646-07-169 % similar Pimelic acid111-16-063 % similar Sebacic acid111-20-663 % similar Azelaic acid123-99-963 % similar

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

Same formula

Butyl myristate110-36-1 Methyl heptadecanoate1731-92-6 Stearic acid57-11-4 Ethyl palmitate628-97-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook