Pentadecylic acid

C₁₅H₃₀O₂CAS 1002-84-2242.40 g/mol

Open in Covalent MOL file

Carboxylic acid

Properties

Molecular formula: C₁₅H₃₀O₂
Molar mass: 242.40 g/mol
Exact mass: 242.2246 Da
Melting point: 52.3 °C
Boiling point: 339.1 °C
logP: 5.16Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 13

Hazards

Warning

H315 Causes skin irritation99.3% of notifiers
H319 Causes serious eye irritation99.3% of notifiers
H335 May cause respiratory irritation95.7% of notifiers

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

1002-84-2

SMILES

CCCCCCCCCCCCCCC(=O)O

InChIKey

WQEPLUUGTLDZJY-UHFFFAOYSA-N

InChI

InChI=1S/C15H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h2-14H2,1H3,(H,16,17)

Weigh it out

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

Names and synonyms

4 names

Pentadecanoic acid
n-Pentadecanoic acid
14FA
NSC 28486

Work with Pentadecylic 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

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 Tricosylic acid2433-96-7100 % similar

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

Same formula

Methyl myristate124-10-7 Ethyl tridecanoate28267-29-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia