TRI-N-OCTYL TRIMELLITATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C33H54O6
Molecular Weight	546.7783
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCCCCCCCOC(=O)C1=CC=C(C(=O)OCCCCCCCC)C(=C1)C(=O)OCCCCCCCC

InChI

InChIKey=JNXDCMUUZNIWPQ-UHFFFAOYSA-N

InChI=1S/C33H54O6/c1-4-7-10-13-16-19-24-37-31(34)28-22-23-29(32(35)38-25-20-17-14-11-8-5-2)30(27-28)33(36)39-26-21-18-15-12-9-6-3/h22-23,27H,4-21,24-26H2,1-3H3

HIDE SMILES / InChI

Molecular Formula	C33H54O6
Molecular Weight	546.7783
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

PubMed

Title	Date	PubMed
Comparative study of the leachability of di(2-ethylhexyl) phthalate and tri(2-ethylhexyl) trimellitate from haemodialysis tubing.	2001 Oct 23	11604266
Molecular modelling of phthalates - PPARs interactions.	2008 Oct	18821250
Structure-activity relationship of immunostimulatory effects of phthalates.	2008 Oct 31	18976460
Advanced taste sensors based on artificial lipids with global selectivity to basic taste qualities and high correlation to sensory scores.	2010	22319306

Patents

Substance Class	Chemical Created by `admin` on `Sat Dec 16 02:14:25 GMT 2023` Edited by `admin` on `Sat Dec 16 02:14:25 GMT 2023`
Record UNII	9GPJ04URH3
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TRI-N-OCTYL TRIMELLITATE

Common Name

English

TRIOCTYL TRIMELLITATE

Common Name

English

Code System Code Type Description

ECHA (EC/EINECS)

201-877-4