AG003V4X

555-45-3 | Tetradecanoic acid, 1,​1',​1''-​(1,​2,​3-​propanetriyl) ester

AG003V4X

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CAS Number	555-45-3
Catalog Number	AG003V4X(AGN-PC-0SJ6TJ)
Chemical Name	Tetradecanoic acid, 1,​1',​1''-​(1,​2,​3-​propanetriyl) ester
EC Number	209-099-7
IUPAC Name	2,3-di(tetradecanoyloxy)propyl tetradecanoate
InChI	InChI=1S/C45H86O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-43(46)49-40-42(51-45(48)39-36-33-30-27-24-21-18-15-12-9-6-3)41-50-44(47)38-35-32-29-26-23-20-17-14-11-8-5-2/h42H,4-41H2,1-3H3
InChI Key	DUXYWXYOBMKGIN-UHFFFAOYSA-N
MDL Number	MFCD00036229
Molecular Formula	C45H86O6
Molecular Weight	723.1607
NSC Number	4062
SMILES	C(OC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC
UNII	18L31PSR28
Synonyms	glyceryl trimyristate, trimyristin, TRIMYRISTIN, 555-45-3, propane-1,2,3-triyl tritetradecanoate, Glycerol trimyristate, Myristin, Glyceryl trimyristate, Dynasan 114, Myristic acid triglyceride, trimyristoylglycerol, Tetradecanoic acid, 1,2,3-propanetriyl ester, Tritetradecanoin, Myristin, tri-, VP 114, Myristic triglyceride, UNII-18L31PSR28, 1,2,3-Tritetradecanoylglycerol, Tracylglycerol(42:0), NSC 4062, Glyceryl tritetradecanoate, 1,2,3-Tritetradecanoyl-rac-glycerol, Myristin, tri- (8CI), 1,2,3-Propanetriol tritetradecanoate, TG(42:0), TG(14:0/14:0/14:0), Tetradecanoic acid, 1,1',1''-(1,2,3-propanetriyl) ester, 18L31PSR28, 1,2,3-tritetradecanoyl-sn-glycerol, Trimyristin, 90%, TAG(42:0), Tracylglycerol(14:0/14:0/14:0), AK113282, 2,3-Bis(tetradecanoyloxy)propyl myristate, 2,3-di(tetradecanoyloxy)propyl tetradecanoate, TAG(14:0/14:0/14:0), TG 14:0/14:0/14:0, glycerol tritetradecanoate, tri-myristin, C45H86O6, EINECS 209-099-7, tritetradecanoylglycerol, ACMC-209lno, AI3-18153, AC1L1WPS, 1,2,3-trimyristoylglycerol, GLYCEROL TRIMYRISTIRATE, SCHEMBL112641, 1,2,3-tri-myristoyl-glycerol, Glyceryl trimyristate, >=99%, 1,2,3-tritetradecanoyl-glycerol, CHEBI:77391, NSC4062, DUXYWXYOBMKGIN-UHFFFAOYSA-N, CDAA-256309, NSC-4062, 8106AB, ANW-32338, LMGL03012616, MFCD00036229, ZINC85591205, AKOS015899781, KS-000012G8, Tetradecanoic acid,2,3-propanetriyl ester, TR-019580, 4CH-024520, FT-0626749, G0088, ST24049044, 1-Myristoyl-2-myristoyl-3-myristoyl-glycerol, T-6800, C-51998, I14-11562, 1-Tetradecanoyl-2-tetradecanoyl-3-tetradecanoyl-glycerol, Trimyristin, European Pharmacopoeia (EP) Reference Standard, UNII-2GQR19D8A4 component DUXYWXYOBMKGIN-UHFFFAOYSA-N, UNII-43AGM4PHPI component DUXYWXYOBMKGIN-UHFFFAOYSA-N, UNII-4LA1OHZ06A component DUXYWXYOBMKGIN-UHFFFAOYSA-N, UNII-8ZJ335A17J component DUXYWXYOBMKGIN-UHFFFAOYSA-N, UNII-VX51AFW1WG component DUXYWXYOBMKGIN-UHFFFAOYSA-N, triacylglycerol, Triglyceride, CID11148, ACN-056714, C45-H86-O6, Glyceryl trimyristate, 90% - 25G 25g,

Complexity	711
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	722.642g/mol
Formal Charge	0
Heavy Atom Count	51
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	723.177g/mol
Monoisotopic Mass	722.642g/mol
Rotatable Bond Count	44
Topological Polar Surface Area	78.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	18.7

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number