AG00I78D

3648-21-3 | 1,2-Benzenedicarboxylic acid, diheptyl ester

AG00I78D

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CAS Number	3648-21-3
Catalog Number	AG00I78D(AGN-PC-0JKEL4)
Chemical Name	1,2-Benzenedicarboxylic acid, diheptyl ester
EC Number	222-885-4
IUPAC Name	diheptyl benzene-1,2-dicarboxylate
InChI	InChI=1S/C22H34O4/c1-3-5-7-9-13-17-25-21(23)19-15-11-12-16-20(19)22(24)26-18-14-10-8-6-4-2/h11-12,15-16H,3-10,13-14,17-18H2,1-2H3
InChI Key	JQCXWCOOWVGKMT-UHFFFAOYSA-N
MDL Number	MFCD00043680
Molecular Formula	C22H34O4
Molecular Weight	362.5030
RTECS Number	TI1090000
SMILES	O=C(OCCCCCCC)C1=CC=CC=C1C(OCCCCCCC)=O
UNII	IE05VO8P8P
Synonyms	diheptyl phthalate, DIHEPTYL PHTHALATE, Di-n-heptyl phthalate, 3648-21-3, Heptyl phthalate, Di-n-Heptylphthalate, Phthalic acid, diheptyl ester, 1,2-Benzenedicarboxylic acid, diheptyl ester, Phthalic Acid Diheptyl Ester, N-Diheptyl phthalate, diheptyl benzene-1,2-dicarboxylate, UNII-IE05VO8P8P, Diheptyl ester of phthalic acid, HSDB 344, CHEBI:34677, Diheptyl 1,2-benzenedicarboxylate, EINECS 222-885-4, MFCD00043680, BRN 2336623, IE05VO8P8P, 1,2-Benzenedicarboxylic acid diheptyl ester, 1,2-Benzenedicarboxylic acid, 1,2-diheptyl ester, FR-0906, W-109923, heptyl 2-(heptyloxycarbonyl)benzoate, Phthalic acid diheptyl, AC1L2DTZ, Diheptyl phthalate, 97%, DSSTox_CID_8662, Epitope ID:140106, DSSTox_GSID_40779, BIDD:ER0462, SCHEMBL124977, Phthalic acid di-n-heptyl ester, CHEMBL2140472, DTXSID8040779, CTK3I9877, JQCXWCOOWVGKMT-UHFFFAOYSA-N, Phthalic acid, bis-n-heptyl ester, KS-00000YI0, ZINC8437777, Tox21_303892, SBB008120, AKOS015838912, Diheptyl phthalate, analytical standard, RTR-014945, 1,2-benzenedicarboxylicacid,diheptylester, NCGC00164188-01, NCGC00356968-01, CAS-3648-21-3, LS-109347, TR-014945, FT-0624936, ST50826283, C14575, C-49071, I01-7853, DHPP, DHP (CHRIS Code), CID19284, C22-H34-O4, 4-09-00-03180 (Beilstein Handbook Reference), C089799, 1,2-Benzenedicarboxylic acid, diheptyl ester, branched and linear, 68515-44-6,

Complexity	344
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	362.246g/mol
Formal Charge	0
Heavy Atom Count	26
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	362.51g/mol
Monoisotopic Mass	362.246g/mol
Rotatable Bond Count	16
Topological Polar Surface Area	52.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H315-H319-H335-H361
Packing Group	Ⅲ
Precautionary statements	P261-P281-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

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