2-Hexyldecanoic acid

C₁₆H₃₂O₂CAS 25354-97-6256.43 g/mol

Open in Covalent MOL file

Carboxylic acid

Properties

Molecular formula: C₁₆H₃₂O₂
Molar mass: 256.43 g/mol
Exact mass: 256.2402 Da
Density: 0.8817 g/mL (at 20 °C)
Melting point: below 25 °C
Boiling point: 145 °C
logP: 5.41Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 13

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation99.4% of notifiers
H335 May cause respiratory irritation10.6% of notifiers

Aggregated from 498 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

25354-97-6

SMILES

CCCCCCCCC(CCCCCC)C(=O)O

InChIKey

JMOLZNNXZPAGBH-UHFFFAOYSA-N

InChI

InChI=1S/C16H32O2/c1-3-5-7-9-10-12-14-15(16(17)18)13-11-8-6-4-2/h15H,3-14H2,1-2H3,(H,17,18)

Weigh it out

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

Names and synonyms

6 names

Decanoic acid, 2-hexyl-
C16 Guerbet fatty acid
Isocarb 16
2-n-Hexyldecanoic acid
Isopalmitic acid
Fine oxocol isopalmitic acid

Work with 2-Hexyldecanoic 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

trans-4-Pentylcyclohexanecarboxylic acid38289-29-176 % similar Cycloheptanecarboxylic acid1460-16-875 % similar Cyclohexanecarboxylic acid98-89-575 % similar 2-Hexadecylpropanedioic acid4371-64-671 % similar Cyclopentanecarboxylic acid3400-45-171 % similar Valproic acid99-66-169 % similar 2-Ethylhexanoic acid149-57-569 % similar (Trans,trans)-4′-pentyl[1,1′-bicyclohexyl]-4-carboxylic acid65355-33-169 % similar

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

Same formula

Butyl laurate106-18-3 Ethyl myristate124-06-1 Palmitic acid57-10-3 Methyl pentadecanoate7132-64-1

Elsewhere

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