AG003QS2

620-67-7 | Propane-1,2,3-triyl triheptanoate

AG003QS2

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CAS Number	620-67-7
Catalog Number	AG003QS2(AGN-PC-0T2VAN)
Chemical Name	Propane-1,2,3-triyl triheptanoate
EC Number	210-647-2
IUPAC Name	2,3-di(heptanoyloxy)propyl heptanoate
InChI	InChI=1S/C24H44O6/c1-4-7-10-13-16-22(25)28-19-21(30-24(27)18-15-12-9-6-3)20-29-23(26)17-14-11-8-5-2/h21H,4-20H2,1-3H3
InChI Key	PJHKBYALYHRYSK-UHFFFAOYSA-N
MDL Number	MFCD00042910
Molecular Formula	C24H44O6
Molecular Weight	428.6026
SMILES	CCCCCCC(OCC(OC(CCCCCC)=O)COC(CCCCCC)=O)=O
UNII	2P6O7CFW5K
Synonyms	glyceroltriheptanoate, glyceryl triheptanoate, triheptanoin, Triheptanoin, 620-67-7, Propane-1,2,3-triyl triheptanoate, GLYCERYL TRIHEPTANOATE, Trienanthoin, Triheptylin, Trioenanthoin, Glycerol triheptanoate, Triheptanoic glyceride, UNII-2P6O7CFW5K, Propane-1,2,3-triyl trisheptanoate, BRN 1807724, EINECS 210-647-2, 2P6O7CFW5K, 3-02-00-00769 (Beilstein Handbook Reference), Heptanoin, tri- (6CI,7CI,8CI), 2,3-di(heptanoyloxy)propyl heptanoate, W-109093, Dermofeel TC 7, Lanol 37T, 1,2,3-propanetriyl triheptanoate, Trienantin, UX007, Glyceryl trienanthate, Triheptanoin [USAN], Heptanoic acid, 1,2,3-propanetriyl ester, AC1L2BIZ, EC 210-647-2, SCHEMBL525618, AC1Q63D8, Glycerol trienanthate, >=94%, KS-000002IT, ZINC4521897, MFCD00042910, AKOS027320524, DB11677, LS-72132, 1,3-di(heptanoyloxy)propan-2-yl heptanoate, FT-0757070, C-48208, Heptanoic acid, 1,2,3-propanetriyl ester (9CI), Heptanoic acid, 1,1',1''-(1,2,3-propanetriyl) ester, Heptanoin, tri-, glyceroltriheptanoate, D00MLW, KST-1B6608, C24H44O6, CID69286, AR-1B5253, C24-H44-O6, Propane- 1, 2, 3- triyl trisheptanoate, C531010, 6319-98-8,

Complexity	421
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	428.314g/mol
Formal Charge	0
Heavy Atom Count	30
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	428.61g/mol
Monoisotopic Mass	428.314g/mol
Rotatable Bond Count	23
Topological Polar Surface Area	78.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	7.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	9
Hazard statements	H315-H411
Packing Group	Ⅲ
Precautionary statements	P273
UN Code	UN 3077

Certificate of Analysis

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