AG003QFO

544-35-4 | ethyl (9Z,12Z)-octadeca-9,12-dienoate

AG003QFO

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CAS Number	544-35-4
Catalog Number	AG003QFO(AGN-PC-0SH6TU)
Chemical Name	ethyl (9Z,12Z)-octadeca-9,12-dienoate
EC Number	208-868-4
IUPAC Name	ethyl (9Z,12Z)-octadeca-9,12-dienoate
InChI	InChI=1S/C20H36O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h8-9,11-12H,3-7,10,13-19H2,1-2H3/b9-8-,12-11-
InChI Key	FMMOOAYVCKXGMF-MURFETPASA-N
MDL Number	MFCD00009535
Molecular Formula	C20H36O2
Molecular Weight	308.4986
NSC Number	50447
SMILES	CCCCC/C=CC/C=CCCCCCCCC(OCC)=O
UNII	MJ2YTT4J8M
Synonyms	ethyl linoleate, ethyl linoleate-9,10,12,13-d4, ETHYL LINOLEATE, Linoleic acid ethyl ester, 544-35-4, Mandenol, Ethyl linolate, Ethyl cis,cis-9,12-octadecadienoate, UNII-MJ2YTT4J8M, Ethyl linoleate [JAN], MJ2YTT4J8M, Ethyl (Z,Z)-9,12-Octadecadienoate, Linoleic acid, ethyl ester, EthylLinoleate, ethyl (9Z,12Z)-octadeca-9,12-dienoate, CHEBI:31572, FMMOOAYVCKXGMF-MURFETPASA-N, MFCD00009535, (9Z,12Z)-Ethyl octadeca-9,12-dienoate, Ethyl linoleate (JAN), DSSTox_CID_26820, DSSTox_RID_81932, DSSTox_GSID_46820, 9,12-Octadecadienoic acid ethyl ester, ethyl (9Z,12Z)octadeca-9,12-dienoate, CAS-6114-21-2, Ethyl linoleate, pure, 9,12-Octadecadienoic acid (9Z,12Z)-, ethyl ester, 9,12-Octadecadienoic acid, ethyl ester, NCGC00181039-01, Nikkol VF-E, Linoleic acid ethyl, EINECS 208-868-4, NSC 50447, AC1NQZMN, Ethyl linoleate, 50%, Ethyl linoleate, 70%, 9,Z)-, ethyl ester, EC 208-868-4, Ethyl linoleate, >=99%, 9,12-Octadecadienoic acid (Z,Z)-, ethyl ester, SCHEMBL81540, (9Z,12Z)-9,12-Octadecadienoic Acid Ethyl Ester, Ethyl cis,12-octadecadienoate, QSPL 206, CHEMBL2106238, DTXSID8046820, ethyl (9Z,12Z)-octadecadienoate, HMS3650O09, Linoleic acid, ethyl ester (8CI), 6114-21-2, NSC50447, ZINC4474575, Ethyl linoleate, analytical standard, Tox21_112687, NSC-50447, SBB058683, AKOS015843230, Tox21_112687_1, NCGC00181039-02, 9,12,Octadececadienoic acid, ethyl ester, CC-29964, M416, SC-46926, Ethyl linoleate, technical, >=65% (GC), DB-003652, Ethyl (9Z,12Z)-9,12-octadecadienoate #, L0055, L0135, ST51037315, D01590, (Z,Z)-9,12-Octadecadienoic Acid Ethyl Ester, SR-01000946817, SR-01000946817-1, I14-54405, 9,12-Octadecadienoic acid (Z,Z)-, ethyl ester (9CI), UNII-0962034MCM component FMMOOAYVCKXGMF-MURFETPASA-N, UNII-89IR26S11S component FMMOOAYVCKXGMF-MURFETPASA-N, UNII-PY7890FR5M component FMMOOAYVCKXGMF-MURFETPASA-N, Ethyl linoleate, United States Pharmacopeia (USP) Reference Standard, C20H36O2, C20-H36-O2, CID5282184, 9,12-Octadecadienoic acid, (Z,Z)-, ethyl ester,

Complexity	292
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	2
Exact Mass	308.272g/mol
Formal Charge	0
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	308.506g/mol
Monoisotopic Mass	308.272g/mol
Rotatable Bond Count	16
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	7.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number