U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C20H34O8
Molecular Weight 402.4792
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ACETYLTRIBUTYL CITRATE

SMILES

CCCCOC(=O)CC(CC(=O)OCCCC)(OC(C)=O)C(=O)OCCCC

InChI

InChIKey=QZCLKYGREBVARF-UHFFFAOYSA-N
InChI=1S/C20H34O8/c1-5-8-11-25-17(22)14-20(28-16(4)21,19(24)27-13-10-7-3)15-18(23)26-12-9-6-2/h5-15H2,1-4H3

HIDE SMILES / InChI

Molecular Formula C20H34O8
Molecular Weight 402.4792
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

ATBC, Acetyl Tributyl Citrate is a plasticizer which can easily substitute those plasticizers to be phased out by the EU by February 2015. Actually, one of the main ATBC application is substitution of Phthalates plasticizers (Acetyl Tributyl Citrate is a Phthalate-FREE, bio based plasticizer). ATBC, is a safe, non-toxic plasticizer, biodegradable, mainly used as plasticizer of PVC, cellulose resin and synthetic rubber. Some of its main applications are toys for children, medical products such as blood bags, food packaging materials, and cosmetics; as well as all main PVC compounds, and fixative of inks in the flexographic industry. ATBC is almost colourless and odourless oily liquid, free of foreign materials, insoluble in water but soluble in alcohols and organic solvents. Compared with benzoates plasticizers, ATBC is perfectly odourless. Compared with other Phthalate-FREE plasticizers, ATBC is biodegradable, 100% biobased and it is not a kind of hydrogenated phthalate. Acetyl Tributyl Citrate is recognized as a Safe and Biodegradable plasticizer, with fewer biochemical effects.

Approval Year

Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
PubMed

PubMed

TitleDatePubMed
Cytocompatibility of new phthalate ester-free tissue conditioners in vitro.
2002 Jun
Estimated daily intake of plasticizers in 1-week duplicate diet samples following regulation of DEHP-containing PVC gloves in Japan.
2003 Apr
[Material labeling of soft plastic toys and plasticizers in polyvinyl chloride products].
2003 Jun
[Examination of sex-hormonal activity of some additives for PVDC film].
2003 Oct
Determination of diethylhexyladipate and acetyltributylcitrate in aqueous extracts after cloud point extraction coupled with microwave assisted back extraction and gas chromatographic separation.
2005 Nov 4
Face to face with toy safety: understanding an unexpected threat.
2008 Feb
The influence of denture cleansers on the release of organic compounds from soft lining materials.
2008 Jun
Fabrication and characterization of poly(lactic acid)/acetyl tributyl citrate/carbon black as conductive polymer composites.
2008 Mar
Rapid identification of additives in poly(vinyl chloride) lid gaskets by direct analysis in real time ionisation and single-quadrupole mass spectrometry.
2010 Jan
Occurrence of extractable ink residuals in packaging materials used in the Czech Republic.
2010 Jan
Migration and hydrolysis of hydrophobic polylactide plasticizer.
2010 Jan 11
Acetyl tributyl citrate, the most widely used phthalate substitute plasticizer, induces cytochrome p450 3a through steroid and xenobiotic receptor.
2011 Oct
Patents

Sample Use Guides

In Vivo Use Guide
Unknown
Route of Administration: Unknown
In Vitro Use Guide
Unknown
Substance Class Chemical
Created
by admin
on Fri Dec 15 15:17:49 GMT 2023
Edited
by admin
on Fri Dec 15 15:17:49 GMT 2023
Record UNII
0ZBX0N59RZ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ACETYLTRIBUTYL CITRATE
HSDB   II   USP-RS  
Common Name English
NSC-3894
Code English
Tributyl 2-acetoxypropane-1,2,3-tricarboxylate
Systematic Name English
TRIBUTYL ACETYLCITRATE
EP   FHFI   MART.  
Systematic Name English
ACETYLTRIBUTYL CITRATE [HSDB]
Common Name English
TRIBUTYL ACETYLCITRATE [MART.]
Common Name English
1,2,3-PROPANETRICARBOXYLIC ACID, 2-(ACETYLOXY)-, 1,2,3-TRIBUTYL ESTER
Common Name English
ACETYL TRIBUTYL CITRATE [INCI]
Common Name English
TRIBUTYL ACETYLCITRATE [EP MONOGRAPH]
Common Name English
ACETYLTRIBUTYL CITRATE [II]
Common Name English
TRIBUTYL ACETYLCITRATE [FHFI]
Common Name English
2-ACETYLTRIBUTYLCITRATE
Common Name English
CITRIC ACID, O-ACETYLTRIBUTYL ESTER
Common Name English
ACETYLTRIBUTYL CITRATE [USP-RS]
Common Name English
FEMA NO. 3080
Code English
ACETYL TRIBUTYL CITRATE
INCI  
INCI  
Official Name English
Classification Tree Code System Code
CFR 21 CFR 172.515
Created by admin on Fri Dec 15 15:17:49 GMT 2023 , Edited by admin on Fri Dec 15 15:17:49 GMT 2023
CFR 21 CFR 175.320
Created by admin on Fri Dec 15 15:17:49 GMT 2023 , Edited by admin on Fri Dec 15 15:17:49 GMT 2023
JECFA EVALUATION TRIBUTYL ACETYLCITRATE
Created by admin on Fri Dec 15 15:17:49 GMT 2023 , Edited by admin on Fri Dec 15 15:17:49 GMT 2023
Code System Code Type Description
DAILYMED
0ZBX0N59RZ
Created by admin on Fri Dec 15 15:17:49 GMT 2023 , Edited by admin on Fri Dec 15 15:17:49 GMT 2023
PRIMARY
SMS_ID
100000088957
Created by admin on Fri Dec 15 15:17:49 GMT 2023 , Edited by admin on Fri Dec 15 15:17:49 GMT 2023
PRIMARY
PUBCHEM
6505
Created by admin on Fri Dec 15 15:17:49 GMT 2023 , Edited by admin on Fri Dec 15 15:17:49 GMT 2023
PRIMARY
WIKIPEDIA
Acetyltributylcitrate
Created by admin on Fri Dec 15 15:17:49 GMT 2023 , Edited by admin on Fri Dec 15 15:17:49 GMT 2023
PRIMARY
NCI_THESAURUS
C45678
Created by admin on Fri Dec 15 15:17:49 GMT 2023 , Edited by admin on Fri Dec 15 15:17:49 GMT 2023
CONCEPT Industrial Aid
EVMPD
SUB23502
Created by admin on Fri Dec 15 15:17:49 GMT 2023 , Edited by admin on Fri Dec 15 15:17:49 GMT 2023
PRIMARY
RS_ITEM_NUM
1009901
Created by admin on Fri Dec 15 15:17:49 GMT 2023 , Edited by admin on Fri Dec 15 15:17:49 GMT 2023
PRIMARY
NCI_THESAURUS
C78760
Created by admin on Fri Dec 15 15:17:49 GMT 2023 , Edited by admin on Fri Dec 15 15:17:49 GMT 2023
PRIMARY
ChEMBL
CHEMBL1904556
Created by admin on Fri Dec 15 15:17:49 GMT 2023 , Edited by admin on Fri Dec 15 15:17:49 GMT 2023
PRIMARY
CAS
77-90-7
Created by admin on Fri Dec 15 15:17:49 GMT 2023 , Edited by admin on Fri Dec 15 15:17:49 GMT 2023
PRIMARY
NSC
3894
Created by admin on Fri Dec 15 15:17:49 GMT 2023 , Edited by admin on Fri Dec 15 15:17:49 GMT 2023
PRIMARY
FDA UNII
0ZBX0N59RZ
Created by admin on Fri Dec 15 15:17:49 GMT 2023 , Edited by admin on Fri Dec 15 15:17:49 GMT 2023
PRIMARY
MESH
C014953
Created by admin on Fri Dec 15 15:17:49 GMT 2023 , Edited by admin on Fri Dec 15 15:17:49 GMT 2023
PRIMARY
ECHA (EC/EINECS)
201-067-0
Created by admin on Fri Dec 15 15:17:49 GMT 2023 , Edited by admin on Fri Dec 15 15:17:49 GMT 2023
PRIMARY
RXCUI
1362881
Created by admin on Fri Dec 15 15:17:49 GMT 2023 , Edited by admin on Fri Dec 15 15:17:49 GMT 2023
PRIMARY
JECFA MONOGRAPH
168
Created by admin on Fri Dec 15 15:17:49 GMT 2023 , Edited by admin on Fri Dec 15 15:17:49 GMT 2023
PRIMARY
HSDB
656
Created by admin on Fri Dec 15 15:17:49 GMT 2023 , Edited by admin on Fri Dec 15 15:17:49 GMT 2023
PRIMARY
EPA CompTox
DTXSID2026446
Created by admin on Fri Dec 15 15:17:49 GMT 2023 , Edited by admin on Fri Dec 15 15:17:49 GMT 2023
PRIMARY
Related Record Type Details
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IMPURITY -> PARENT
CHROMATOGRAPHIC PURITY (GC)
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