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Substance Name: Di-(5-methylhexyl)phthalate
RN: 41451-28-9
UNII: 9JJP9B98FG
InChIKey: RKELNIPLHQEBJO-UHFFFAOYSA-N

Note

  • Diheptyl phthalate metabolite in rats.

Molecular Formula

  • C22-H34-O4

Molecular Weight

  • 362.5066
 
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Names and Synonyms

Name of Substance

  • Di-(5-methylhexyl)phthalate

Synonyms

  • D-5-Mhp
  • Diisoheptyl phthalate
  • UNII-9JJP9B98FG

Systematic Name

  • 1,2-Benzenedicarboxylic acid, diisoheptyl ester

Registry Numbers

CAS Registry Number

  • 41451-28-9

FDA UNII

  • 9JJP9B98FG

System Generated Number

  • 0041451289

Structure Descriptors

InChI

1S/C22H34O4/c1-17(2)11-7-9-15-25-21(23)19-13-5-6-14-20(19)22(24)26-16-10-8-12-18(3)4/h5-6,13-14,17-18H,7-12,15-16H2,1-4H3

InChIKey

RKELNIPLHQEBJO-UHFFFAOYSA-N

Smiles

CC(C)CCCCOC(=O)c1ccccc1C(=O)OCCCCC(C)C