AG000SB3

126198-74-1 | Benzyl (7-methyloctyl) phthalate

AG000SB3

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CAS Number	126198-74-1
Catalog Number	AG000SB3(AGN-PC-0BS7NA)
Chemical Name	Benzyl (7-methyloctyl) phthalate
IUPAC Name	2-O-benzyl 1-O-(7-methyloctyl) benzene-1,2-dicarboxylate
InChI	InChI=1S/C24H30O4/c1-19(2)12-6-3-4-11-17-27-23(25)21-15-9-10-16-22(21)24(26)28-18-20-13-7-5-8-14-20/h5,7-10,13-16,19H,3-4,6,11-12,17-18H2,1-2H3
InChI Key	IZTZLYGDXPHVQF-UHFFFAOYSA-N
MDL Number	MFCD08276308
Molecular Formula	C24H30O4
Molecular Weight	382.4926
SMILES	O=C(OCCCCCCC(C)C)C1=CC=CC=C1C(OCC2=CC=CC=C2)=O
Synonyms	Benzyl Isononyl Phthalate, 126198-74-1, Benzyl (7-methyloctyl) phthalate, ACMC-1C3HJ, CTK4B5040, DTXSID90721439, MFCD08276308, ZINC83436405, AKOS025294237, TR-003851, KS-00001202, Benzyl 7-methyloctyl benzene-1,2-dicarboxylate, BenzylIsononylPhthalate(mixtureofbranchedchainisomers), Benzyl Isononyl Phthalate (mixture of branched chain isomers), Phthalic Acid Benzyl Isononyl Ester, B2715,

Complexity	454
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	382.214g/mol
Formal Charge	0
Heavy Atom Count	28
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	382.5g/mol
Monoisotopic Mass	382.214g/mol
Rotatable Bond Count	13
Topological Polar Surface Area	52.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	7.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H319
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

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