TRICAPRYLYL CITRATE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C30H56O7
Molecular Weight	528.7614
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of TRICAPRYLYL CITRATE

Structure Search

SMILES

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

InChI

InChIKey=APVVRLGIFCYZHJ-UHFFFAOYSA-N

InChI=1S/C30H56O7/c1-4-7-10-13-16-19-22-35-27(31)25-30(34,29(33)37-24-21-18-15-12-9-6-3)26-28(32)36-23-20-17-14-11-8-5-2/h34H,4-26H2,1-3H3

HIDE SMILES / InChI

Molecular Formula	C30H56O7
Molecular Weight	528.7614
Charge	0
Count

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

Approval Year

PubMed

PubMed

Title	Date	PubMed
Final report on the safety assessment of acetyl triethyl citrate, acetyl tributyl citrate, acetyl trihexyl citrate, and acetyl trioctyl citrate.	2002	12396673

Patents

Patents

Substance Class	Chemical Created by `admin` on `Mon Mar 31 17:59:02 GMT 2025` Edited by `admin` on `Mon Mar 31 17:59:02 GMT 2025`
Record UNII	BXW1GAI4TA
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TRICAPRYLYL CITRATE

Official Name

English

BERNEL ESTER TCC

Preferred Name

English

TRIOCTYL CITRATE

Systematic Name

English

1,2,3-PROPANETRICARBOXYLIC ACID, 2-HYDROXY-, TRIOCTYL ESTER

Common Name

English

CITRIC ACID, TRIOCTYL ESTER

Common Name

English

TRI-N-OCTYL CITRATE

Common Name

English

Code System Code Type Description

CAS

16502-99-1

Created by admin on Mon Mar 31 17:59:03 GMT 2025 , Edited by admin on Mon Mar 31 17:59:03 GMT 2025

SUPERSEDED

CAS

76414-35-2

Created by admin on Mon Mar 31 17:59:03 GMT 2025 , Edited by admin on Mon Mar 31 17:59:03 GMT 2025

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FDA UNII

BXW1GAI4TA

Created by admin on Mon Mar 31 17:59:03 GMT 2025 , Edited by admin on Mon Mar 31 17:59:03 GMT 2025

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EPA CompTox

DTXSID30167837

Created by admin on Mon Mar 31 17:59:03 GMT 2025 , Edited by admin on Mon Mar 31 17:59:03 GMT 2025

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RXCUI

1314421

Created by admin on Mon Mar 31 17:59:03 GMT 2025 , Edited by admin on Mon Mar 31 17:59:03 GMT 2025

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RxNorm

DAILYMED

BXW1GAI4TA

Created by admin on Mon Mar 31 17:59:03 GMT 2025 , Edited by admin on Mon Mar 31 17:59:03 GMT 2025

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PUBCHEM

9828350

Created by admin on Mon Mar 31 17:59:03 GMT 2025 , Edited by admin on Mon Mar 31 17:59:03 GMT 2025

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