CAS 125093-27-8 | 9-Octadecenoic acid, 12-hydroxy-, 2-octyldodecyl ester, (Z)- (9CI) | CAS Number 125093-27-8

200,000+ products from a single source!

sales@angenechem.com

Product Categories

Home > Other Building Blocks > 125093-27-8

125093-27-8 | 9-Octadecenoic acid, 12-hydroxy-, 2-octyldodecyl ester, (Z)- (9CI)

CAS No: 125093-27-8 Catalog No: AG000N4I MDL No:

Product Description

Catalog Number:

AG000N4I

Chemical Name:

9-Octadecenoic acid, 12-hydroxy-, 2-octyldodecyl ester, (Z)- (9CI)

CAS Number:

125093-27-8

Molecular Formula:

C38H74O3

Molecular Weight:

578.9924

IUPAC Name:

icosan-9-yl (12R)-12-hydroxyoctadec-9-enoate

InChI:

InChI=1S/C38H74O3/c1-4-7-10-13-15-16-20-24-29-34-37(33-28-23-14-11-8-5-2)41-38(40)35-30-25-21-18-17-19-22-27-32-36(39)31-26-12-9-6-3/h22,27,36-37,39H,4-21,23-26,28-35H2,1-3H3/t36-,37?/m1/s1

InChI Key:

HQRJTRSKPWEIII-RKROREJRSA-N

SMILES:

CCCCCCCCCCC(COC(=O)CCCCCCC/C=C\CC(CCCCCC)O)CCCCCCCC

Properties

Complexity:

544

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

578.564g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

579.007g/mol

Monoisotopic Mass:

578.564g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

46.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

15.7

Literature

Title	Journal
Final report on the safety assessment of Ricinus Communis (Castor) Seed Oil, Hydrogenated Castor Oil, Glyceryl Ricinoleate, Glyceryl Ricinoleate SE, Ricinoleic Acid, Potassium Ricinoleate, Sodium Ricinoleate, Zinc Ricinoleate, Cetyl Ricinoleate, Ethyl Ricinoleate, Glycol Ricinoleate, Isopropyl Ricinoleate, Methyl Ricinoleate, and Octyldodecyl Ricinoleate.	International journal of toxicology 20070101