AG003V1K

77-89-4 | Triethyl 2-acetoxypropane-1,2,3-tricarboxylate

AG003V1K

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CAS Number	77-89-4
Catalog Number	AG003V1K(AGN-PC-0JK7M4)
Chemical Name	Triethyl 2-acetoxypropane-1,2,3-tricarboxylate
EC Number	201-066-5
IUPAC Name	triethyl 2-acetyloxypropane-1,2,3-tricarboxylate
InChI	InChI=1S/C14H22O8/c1-5-19-11(16)8-14(22-10(4)15,13(18)21-7-3)9-12(17)20-6-2/h5-9H2,1-4H3
InChI Key	WEAPVABOECTMGR-UHFFFAOYSA-N
MDL Number	MFCD00049378
Molecular Formula	C14H22O8
Molecular Weight	318.3197
NSC Number	3887
SMILES	O=C(CC(C(OCC)=O)(OC(C)=O)CC(OCC)=O)OCC
UNII	5WBR36T90E
Synonyms	acetyl triethyl citrate, 77-89-4, Acetyl triethyl citrate, Triethyl 2-acetoxypropane-1,2,3-tricarboxylate, Triethyl O-acetylcitrate, Citroflex A 2, Acetyltriethyl citrate, Triethyl acetylcitrate, ATEC, O-Acetylcitric acid triethyl ester, Citric acid, acetyl triethyl ester, 1,2,3-Propanetricarboxylic acid, 2-(acetyloxy)-, triethyl ester, Triethyl citrate, acetate, NSC 3887, UNII-5WBR36T90E, Triethyl citrate acetate, EINECS 201-066-5, Triethyl 2-acetoxy-1,2,3-propanetricarboxylate, Triethylester kyseliny acetylcitronove, BRN 1804947, AI3-03574, 5WBR36T90E, CITRIC ACID, TRIETHYL ESTER, ACETATE, Triethylester kyseliny acetylcitronove [Czech], Tricarballylic acid, beta-acetoxytributyl ester, 1,2,3-Propanetricarboxylic acid, 2-(acetyloxy)-, 1,2,3-triethyl ester, Tricarballylic acid, .beta.-acetoxytributyl ester, 2-(Acetyloxy)-1,2,3-propanetricarboxylic acid, triethyl ester, acetyltriethylcitrate, Acetyltriethyl citrate [NF], Citroflex A-2, Uniplex 82, TriethylO-Acetylcitrate, AC1L1MOD, DSSTox_CID_24576, DSSTox_RID_80325, DSSTox_GSID_44576, SCHEMBL42702, 3-03-00-01105 (Beilstein Handbook Reference), 3-O-Acetylcitric acid triethyl, AC1Q34O4, CHEMBL2105928, DTXSID5044576, Triethyl 2-acetylcitrate, 99%, NSC3887, WEAPVABOECTMGR-UHFFFAOYSA-N, NSC-3887, ZINC3875492, Tox21_301483, MFCD00049378, WLN: 2OV1XVO2&OV1&1VO2, AKOS024464792, TRA0065429, CAS-77-89-4, KS-0000153S, NCGC00256002-01, AK163499, AN-23926, CC-33225, LS-54373, AX8112286, A0086, FT-0631334, FT-0659670, ST24050262, Triethyl 2-acetoxy-1,3-propanetricarboxylate, Acetyl-Triethyl Citrate MIL-A-47059 Mil Spec, C-25004, SR-01000944782, triethyl 2-acetyloxypropane-1,2,3-tricarboxylate, SR-01000944782-1, Triethyl 2-(acetyloxy)-1,2,3-propanetricarboxylate #, 1,2,3-triethyl 2-acetyloxypropane-1,2,3-tricarboxylate, triethyl 2-acetyloxypropane-1,2,3-tricarboxylate, ATEC, 1,2,3-Propanetricarboxylic acid, 2-acetoxy-, triethyl ester, 1,3-Propanetricarboxylic acid, 2-(acetyloxy)-, triethyl ester, Acetyltriethyl citrate, United States Pharmacopeia (USP) Reference Standard, Triethyl 2-acetylcitrate, Pharmaceutical Secondary Standard; Certified Reference Material, Triethylacetylcitrate, Citric acid, acetate, Triethyl acetyl citrate, Triethyl 2-acetylcitrate, Triethyl O- acetylcitrate, triethyl O - acetylcitrate, CID6504, C14H22O8, C14-H22-O8, CS-O-02516, C473838,

Complexity	395
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	318.131g/mol
Formal Charge	0
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	318.322g/mol
Monoisotopic Mass	318.131g/mol
Rotatable Bond Count	13
Topological Polar Surface Area	105A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302-H317-H319-H361
Packing Group	Ⅲ
Precautionary statements	P280
UN Code	UN 2811

Certificate of Analysis

Lot Number