AG007LB2

13552-80-2 | Undecanoic acid, 1,​1',​1''-​(1,​2,​3-​propanetriyl) ester

AG007LB2

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CAS Number	13552-80-2
Catalog Number	AG007LB2(AGN-PC-0PKN1O)
Chemical Name	Undecanoic acid, 1,​1',​1''-​(1,​2,​3-​propanetriyl) ester
EC Number	236-935-8
IUPAC Name	2,3-di(undecanoyloxy)propyl undecanoate
InChI	InChI=1S/C36H68O6/c1-4-7-10-13-16-19-22-25-28-34(37)40-31-33(42-36(39)30-27-24-21-18-15-12-9-6-3)32-41-35(38)29-26-23-20-17-14-11-8-5-2/h33H,4-32H2,1-3H3
InChI Key	MBXVIRZWSHICAV-UHFFFAOYSA-N
MDL Number	MFCD00042869
Molecular Formula	C36H68O6
Molecular Weight	596.9215
SMILES	C(OC(=O)CCCCCCCCCC)(COC(=O)CCCCCCCCCC)COC(=O)CCCCCCCCCC
UNII	ZTT041BJ4O
Synonyms	triundecanoin, Triundecanoin, Glyceryl triundecanoate, Trihendecanoin, Triundecylin, n-Trihendecanoin, 13552-80-2, Undecanoin, tri-, Propane-1,2,3-triyl triundecanoate, Glycerol triundecanoate, Undecanoic acid, 1,2,3-propanetriyl ester, UNII-ZTT041BJ4O, GLYCERYLTRIUNDECANOATE, EINECS 236-935-8, BRN 1810343, ZTT041BJ4O, 1,2,3-Triundecanoylglycerol, Undecanoic acid, 1,1',1''-(1,2,3-propanetriyl) ester, Tri-Undecanoin, Captex 8227, AC1L35PC, 3-02-00-00859 (Beilstein Handbook Reference), SCHEMBL3503367, DTXSID3065532, Glyceryl triundecanoate, >=98%, ZINC95618126, AKOS015843150, 1,2,3-Propanetriyl undecanoate, 9CI, 2,3-di(undecanoyloxy)propyl undecanoate, LS-158438, TX-012387, FT-0750642, 1,3-bis(undecanoyloxy)propan-2-yl undecanoate, C-48171, J-006712, I14-55968, UNII-43AGM4PHPI component MBXVIRZWSHICAV-UHFFFAOYSA-N, C36H68O6, CID83574, C36-H68-O6, Glyceryl triundecanoate, 99% - 1G 1g, Propane- 1, 2, 3- triyl triundecanoate,

Complexity	584
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	596.502g/mol
Formal Charge	0
Heavy Atom Count	42
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	596.934g/mol
Monoisotopic Mass	596.502g/mol
Rotatable Bond Count	35
Topological Polar Surface Area	78.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	13.8

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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