AG003608

70969-58-3 | 1,2-cyclohexanedicarboxylic acid, diisobutyl ester

AG003608

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CAS Number	70969-58-3
Catalog Number	AG003608(AGN-PC-0JLKSC)
Chemical Name	1,2-cyclohexanedicarboxylic acid, diisobutyl ester
EC Number	275-069-5
IUPAC Name	bis(2-methylpropyl) cyclohexane-1,2-dicarboxylate
InChI	InChI=1S/C16H28O4/c1-11(2)9-19-15(17)13-7-5-6-8-14(13)16(18)20-10-12(3)4/h11-14H,5-10H2,1-4H3
InChI Key	QUKHPBOCBWDYMW-UHFFFAOYSA-N
MDL Number	MFCD30474813
Molecular Formula	C16H28O4
Molecular Weight	284.3911
SMILES	C1(C(CCCC1)C(=O)OCC(C)C)C(=O)OCC(C)C
Synonyms	70969-58-3, Diisobutyl hexahydrophthalate, diisobutyl cyclohexane-1,2-dicarboxylate, 1,2-Cyclohexanedicarboxylic acid, bis(2-methylpropyl) ester, 1,2-Cyclohexanedicarboxylic acid, diisobutyl ester, QUKHPBOCBWDYMW-UHFFFAOYSA-N, 1,2-Cyclohexanedicarboxylic acid, 1,2-bis(2-methylpropyl) ester, bis(2-methylpropyl) cyclohexane-1,2-dicarboxylate, EINECS 275-069-5, EC 275-069-5, AC1L3JH7, AC1Q62SZ, SCHEMBL234626, KS-000000VD, MFCD30474813, AKOS028108488, Hexahydrophthalic acid diisobutyl ester, DS-3335, AK550850, 1,2-Cyclohexanedicarboxylic acid,bis-(2-methylpropyl)ester, AR-1I5288, CID116722, C16-H28-O4, 1,2-Cyclohexanedicarboxylicacid,bis(2-methylpropyl)ester, 738-25-0,

Complexity	290
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	284.199g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	284.396g/mol
Monoisotopic Mass	284.199g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	52.6A^2
Undefined Atom Stereocenter Count	2
Undefined Bond Stereocenter Count	0
XLogP3	4.2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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