CAS 29710-31-4 | Octanoic acid, hexadecyl ester | CAS Number 29710-31-4

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29710-31-4 | Octanoic acid, hexadecyl ester

CAS No: 29710-31-4 Catalog No: AG002Z74 MDL No:

Product Description

Catalog Number:

AG002Z74

Chemical Name:

Octanoic acid, hexadecyl ester

CAS Number:

29710-31-4

Molecular Formula:

C24H48O2

Molecular Weight:

368.6367

IUPAC Name:

hexadecyl octanoate

InChI:

InChI=1S/C24H48O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-19-21-23-26-24(25)22-20-18-8-6-4-2/h3-23H2,1-2H3

InChI Key:

DWMMZQMXUWUJME-UHFFFAOYSA-N

SMILES:

CCCCCCCCCCCCCCCCOC(=O)CCCCCCC

EC Number:

249-794-2

UNII:

418Q5V6PLJ

Properties

Complexity:

275

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

368.365g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

368.646g/mol

Monoisotopic Mass:

368.365g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

26.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

10.9

Literature

Title	Journal
Alstonia scholaris R. Br. Significantly Inhibits Retinoid-Induced Skin Irritation In Vitro and In Vivo.	Evidence-based complementary and alternative medicine : eCAM 20120101
High yield of wax ester synthesized from cetyl alcohol and octanoic acid by lipozyme RMIM and Novozym 435.	International journal of molecular sciences 20120101
Structure of EthR in a ligand bound conformation reveals therapeutic perspectives against tuberculosis.	Molecular cell 20041022