AG001FPP

141-23-1 | Octadecanoic acid, 12-hydroxy-, methyl ester

AG001FPP

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CAS Number	141-23-1
Catalog Number	AG001FPP(AGN-PC-00URPU)
Chemical Name	Octadecanoic acid, 12-hydroxy-, methyl ester
EC Number	205-471-8
IUPAC Name	methyl 12-hydroxyoctadecanoate
InChI	InChI=1S/C19H38O3/c1-3-4-5-12-15-18(20)16-13-10-8-6-7-9-11-14-17-19(21)22-2/h18,20H,3-17H2,1-2H3
InChI Key	RVWOWEQKPMPWMQ-UHFFFAOYSA-N
MDL Number	MFCD00046706
Molecular Formula	C19H38O3
Molecular Weight	314.5032
NSC Number	2392
RTECS Number	WI4200000
SMILES	CCCCCCC(O)CCCCCCCCCCC(OC)=O
Synonyms	methyl-12-hydroxystearate, Methyl 12-hydroxyoctadecanoate, METHYL 12-HYDROXYSTEARATE, 141-23-1, Kemester 1288, Cenwax ME, Methyl hydroxystearate, Octadecanoic acid, 12-hydroxy-, methyl ester, 12-Hydroxystearic acid, methyl ester, Methyl-12-hydroxystearate, NSC 2392, Stearic acid, 12-hydroxy-, methyl ester, HSDB 5635, 12-Hydroxystearic acid methyl ester, EINECS 205-471-8, 12-Hydroxyoctadecanoic acid, methyl ester, Methyl-12-hydroxyoctadecanoate, AI3-19731, RVWOWEQKPMPWMQ-UHFFFAOYSA-N, W-109504, 82008-61-5, Paracin 1, AC1L1RSV, AC1Q5ZZG, DSSTox_CID_7086, methyl 12-hydroxy stearate, DSSTox_RID_78304, DSSTox_GSID_27086, methyl 12-hydroxyoctadecanate, SCHEMBL293897, CHEMBL2139695, DTXSID8027086, CTK4C2533, NSC2392, Methyl 12-hydroxystearate C18:0, C19H38O3, NSC-2392, Tox21_303267, WLN: Q3Y6 & 10VO1, 6528AF, AKOS015913955, 12-Hydroxyoctadecanoic acid methyl ester, NCGC00164387-01, NCGC00256944-01, AN-23202, CAS-141-23-1, Methyl 12-hydroxystearate, >=99% (GC), LS-146679, Octadecanoic acid,12-hydroxy-, methyl ester, Octadecanoic acid, 12-hydroxy-, (R-(Z))-, DL-12-HYDROXYSTEARIC ACID METHYL ESTER, I14-44895, Octadecanoic acid, 12-hydroxy-, (R-(Z))- (9CI), Methyl 12-hydroxystearate, European Pharmacopoeia (EP) Reference Standard, Methyl 12-hydroxystearate, United States Pharmacopeia (USP) Reference Standard, UNII-P7UC7KGL82, Stearic acid, methyl ester, P7UC7KGL82, Octadecanoic acid, methyl ester, Methyl 12- hydroxyoctadecanoate, CID8840, AR-1J4292, C19-H38-O3, 2420-35-1, Octadecanoic acid, 12-hydroxy-, methyl ester Stearic acid, 12-hydroxy-, methyl ester,

Complexity	241
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	314.282g/mol
Formal Charge	0
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	314.51g/mol
Monoisotopic Mass	314.282g/mol
Rotatable Bond Count	17
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	6.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
UN Code

Certificate of Analysis

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