chempirical

Margaric acid

C17H34O2CAS 506-12-7270.46 g/mol

Open in Covalent MOL file
OOH
Carboxylic acid

Properties

Molecular formula
C17H34O2
Molar mass
270.46 g/mol
Exact mass
270.2559 Da
Density
0.8532 g/mL (at 60 °C)
Melting point
61.3 °C
Boiling point
363.8 °C
logP
5.94Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
15

Hazards

Warning
Irritant (GHS07)

Aggregated from 140 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
506-12-7
SMILES
CCCCCCCCCCCCCCCCC(=O)O
InChIKey
KEMQGTRYUADPNZ-UHFFFAOYSA-N
InChI
InChI=1S/C17H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h2-16H2,1H3,(H,18,19)

Weigh it out

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

Names and synonyms

6 names
  • Heptadecanoic acid
  • n-Heptadecoic acid
  • n-Heptadecylic acid
  • Margarinic acid
  • n-Heptadecanoic acid
  • NSC 3743

Safety data sheets

One stored sheet lists this compound in section 3, matched by the CAS number 506-12-7. Each row opens the sheet with its composition and PDF.

Open in the SDS library

Work with Margaric 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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Pentadecylic acid1002-84-2100 % similar Enanthic acid111-14-8100 % similar Pelargonic acid112-05-0100 % similar Undecylic acid112-37-8100 % similar Behenic acid112-85-6100 % similar Caprylic acid124-07-2100 % similar Lauric acid143-07-7100 % similar Heneicosylic acid2363-71-5100 % similar

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

Same formula

Isopropyl myristate110-27-0 Methyl palmitate112-39-0 Ethyl pentadecanoate41114-00-5 Isoamyl laurate6309-51-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia