(Q27225614)

2-{[(8-methylnonyl)oxy]carbonyl}benzoic acid (English)

12 October 2016

chemical formula

C₁₈H₂₆O₄

1 reference

2-{[(8-methylnonyl)oxy]carbonyl}benzoic acid (English)

12 October 2016

canonical SMILES

CC(C)CCCCCCCOC(=O)C1=CC=CC=C1C(=O)O

1 reference

Assessment of human exposure to di-isodecyl phthalate using oxidative metabolites as biomarkers

2-{[(8-methylnonyl)oxy]carbonyl}benzoic acid (English)

12 October 2016

1 reference

Bacillus

1 reference

stated in

Biodegradation of diisodecyl phthalate (DIDP) by Bacillus sp. SB-007.

brown rat

1 reference

stated in

Urinary metabolites of diisodecyl phthalate in rats.

Identifiers

InChI

InChI=1S/C18H26O4/c1-14(2)10-6-4-3-5-9-13-22-18(21)16-12-8-7-11-15(16)17(19)20/h7-8,11-12,14H,3-6,9-10,13H2,1-2H3,(H,19,20)

1 reference

2-{[(8-methylnonyl)oxy]carbonyl}benzoic acid (English)

12 October 2016

2 references

2-{[(8-methylnonyl)oxy]carbonyl}benzoic acid (English)

12 October 2016

stated in

ChEBI release 2020-09-01

1 reference

monoisodecyl phthalate (English)

12 October 2016

1 reference

2-{[(8-Methylnonyl)oxy]carbonyl}benzoic acid (English)

12 October 2016

2 references

2-{[(8-methylnonyl)oxy]carbonyl}benzoic acid (English)

12 October 2016

Reaxys registry number

11158799

1 reference

monoisodecyl phthalate (English)

12 October 2016

ChEBI ID

132594

mapping relation type

2 references

monoisodecyl phthalate (English)

12 October 2016

International Chemical Identifier

InChI

InChI=1S/C18H26O4/c1-14(2)10-6-4-3-5-9-13-22-18(21)16-12-8-7-11-15(16)17(19)20/h7-8,11-12,14H,3-6,9-10,13H2,1-2H3,(H,19,20)

SureChEMBL ID

SCHEMBL124174

2 references

based on heuristic

inferred from InChIKey

1 reference

1 reference