Name: Name:Octanoic acid, octadecyl ester
Brand: Angene
SKU: AG0024E8
Rating: 90 (10 reviews)

Octanoic acid, octadecyl ester

CAS No.:

18312-31-7

Catalog Number:

AG0024E8

Molecular Formula:

C26H52O2

Molecular Weight:

396.6899

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Product Description

Catalog Number:

AG0024E8

Chemical Name:

Octanoic acid, octadecyl ester

CAS Number:

18312-31-7

Molecular Formula:

C26H52O2

Molecular Weight:

396.6899

IUPAC Name:

octadecyl octanoate

InChI:

InChI=1S/C26H52O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-21-23-25-28-26(27)24-22-20-8-6-4-2/h3-25H2,1-2H3

InChI Key:

VNLRTFSQCPNNIM-UHFFFAOYSA-N

SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)CCCCCCC

EC Number:

242-200-2

UNII:

06TS6O9194

Properties

Complexity:

301

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

396.397g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

396.7g/mol

Monoisotopic Mass:

396.397g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

26.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

11.9

Literature

Title	Journal
Safety assessment of stearyl heptanoate and related stearyl alkanoates as used in cosmetics.	International journal of toxicology 20120101