AG003PSD

Name: Diisoundecyl Phthalate (Mixture of Branched Isomers)
Brand: Angene Chemical
SKU: AG003PSD

96507-86-7 | Diisoundecyl Phthalate (Mixture of Branched Isomers)

AG003PSD

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CAS Number	96507-86-7
Catalog Number	AG003PSD(AGN-PC-0JNDMU)
Chemical Name	Diisoundecyl Phthalate (Mixture of Branched Isomers)
EC Number	306-165-8
IUPAC Name	bis(9-methyldecyl) benzene-1,2-dicarboxylate
InChI	InChI=1S/C30H50O4/c1-25(2)19-13-9-5-7-11-17-23-33-29(31)27-21-15-16-22-28(27)30(32)34-24-18-12-8-6-10-14-20-26(3)4/h15-16,21-22,25-26H,5-14,17-20,23-24H2,1-4H3
InChI Key	LGBAGUMSAPUZPU-UHFFFAOYSA-N
MDL Number	MFCD00043729
Molecular Formula	C30H50O4
Molecular Weight	474.7156
NSC Number	17081
SMILES	O=C(OCCCCCCCCC(C)C)C1=CC=CC=C1C(OCCCCCCCCC(C)C)=O
Synonyms	Diisoundecyl phthalate, 96507-86-7, 1,2-Benzenedicarboxylic acid, diisoundecyl ester, NSC17081, AC1L41NM, SCHEMBL36892, 1, bis(9-methyldecyl) ester, CTK5H8754, DTXSID90242295, ZINC4683300, EINECS 306-165-8, NSC-17081, AKOS015889548, Phthalic acid bis(9-methyldecyl) ester, bis(9-methyldecyl) benzene-1,2-dicarboxylate, 1,2-Benzenedicarboxylicacid, 1,2-diisoundecyl ester, Diisoundecyl Phthalate (Mixture of Branched Isomers), I01-19727, CID175686,

Complexity	468
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	474.371g/mol
Formal Charge	0
Heavy Atom Count	34
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	474.726g/mol
Monoisotopic Mass	474.371g/mol
Rotatable Bond Count	22
Topological Polar Surface Area	52.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	11.7

CERTIFICATE OF ANALYSIS

Analysis Data:

Test:

Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited