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Details

Stereochemistry ACHIRAL
Molecular Formula C30H56O6
Molecular Weight 512.762
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TRIMETHYLOLPROPANE TRICAPRYLATE

SMILES

CCCCCCCC(=O)OCC(CC)(COC(=O)CCCCCCC)COC(=O)CCCCCCC

InChI

InChIKey=HFWHTGSLDKKCMD-UHFFFAOYSA-N
InChI=1S/C30H56O6/c1-5-9-12-15-18-21-27(31)34-24-30(8-4,25-35-28(32)22-19-16-13-10-6-2)26-36-29(33)23-20-17-14-11-7-3/h5-26H2,1-4H3

HIDE SMILES / InChI

Molecular Formula C30H56O6
Molecular Weight 512.762
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 01:29:18 UTC 2023
Edited
by admin
on Sat Dec 16 01:29:18 UTC 2023
Record UNII
12SZ34PNBO
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TRIMETHYLOLPROPANE TRICAPRYLATE
Systematic Name English
1,3-PROPANEDIOL, 2-ETHYL-2-(HYDROXYMETHYL)-, TRIOCTANOATE
Systematic Name English
TRIMETHYLOPROPANE TRIOCTANOATE
Common Name English
OCTANOIC ACID, 2-ETHYL-2-(((1-OXOOCTYL)OXY)METHYL)-1,3-PROPANEDIYL ESTER
Common Name English
OCTANOIC ACID, 1,1'-(2-ETHYL-2-(((1-OXOOCTYL)OXY)METHYL)-1,3-PROPANEDIYL) ESTER
Common Name English
1,1,1-TRIMETHYLOLPROPANE TRICAPRYLATE
Systematic Name English
OCTANOIC ACID, TRIESTER WITH 2-ETHYL-2-(HYDROXYMETHYL)-1,3-PROPANEDIOL
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID201014644
Created by admin on Sat Dec 16 01:29:18 UTC 2023 , Edited by admin on Sat Dec 16 01:29:18 UTC 2023
PRIMARY
ECHA (EC/EINECS)
225-404-6
Created by admin on Sat Dec 16 01:29:18 UTC 2023 , Edited by admin on Sat Dec 16 01:29:18 UTC 2023
PRIMARY
PUBCHEM
78541
Created by admin on Sat Dec 16 01:29:18 UTC 2023 , Edited by admin on Sat Dec 16 01:29:18 UTC 2023
PRIMARY
FDA UNII
12SZ34PNBO
Created by admin on Sat Dec 16 01:29:18 UTC 2023 , Edited by admin on Sat Dec 16 01:29:18 UTC 2023
PRIMARY
CAS
4826-87-3
Created by admin on Sat Dec 16 01:29:18 UTC 2023 , Edited by admin on Sat Dec 16 01:29:18 UTC 2023
PRIMARY