EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

acetyl tributyl citrate
tributyl acetylcitrate

Supplier Sponsors

CAS Number: 77-90-7Picture of molecule3D/inchi
Other(deleted CASRN):37070-91-0
ECHA EINECS - REACH Pre-Reg:201-067-0
FDA UNII: 0ZBX0N59RZ
Nikkaji Web:J47.372C
Beilstein Number:2303316
MDL:MFCD00043554
XlogP3-AA:3.30 (est)
Molecular Weight:402.48458000
Formula:C20 H34 O8
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category:flavor and fragrance agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
Google Books:Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Perfumer and Flavorist:Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
JECFA Food Flavoring:630 tributyl acetylcitrate
DG SANTE Food Flavourings:09.511 tributyl acetylcitrate
DG SANTE Food Contact Materials:tributyl acetylcitrate
FEMA Number:3080 tributyl acetylcitrate
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):77-90-7 ; TRIBUTYL ACETYLCITRATE
FDA Regulation:
FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION
Subpart F--Flavoring Agents and Related Substances
Sec. 172.515 Synthetic flavoring substances and adjuvants.


FDA PART 175 -- INDIRECT FOOD ADDITIVES: ADHESIVES AND COMPONENTS OF COATINGS
Subpart B--Substances for Use Only as Components of Adhesives
Sec. 175.105 Adhesives.


FDA PART 175 -- INDIRECT FOOD ADDITIVES: ADHESIVES AND COMPONENTS OF COATINGS
Subpart C--Substances for Use as Components of Coatings
Sec. 175.300 Resinous and polymeric coatings.


FDA PART 175 -- INDIRECT FOOD ADDITIVES: ADHESIVES AND COMPONENTS OF COATINGS
Subpart C--Substances for Use as Components of Coatings
Sec. 175.320 Resinous and polymeric coatings for polyolefin films.


FDA PART 178 -- INDIRECT FOOD ADDITIVES: ADJUVANTS, PRODUCTION AIDS, AND SANITIZERS
Subpart D--Certain Adjuvants and Production Aids
Sec. 178.3910 Surface lubricants used in the manufacture of metallic articles.


FDA PART 181 -- PRIOR-SANCTIONED FOOD INGREDIENTS
Subpart B--Specific Prior-Sanctioned Food Ingredients
Sec. 181.27 Plasticizers.
 
Physical Properties:
Appearance:colorless clear oily liquid (est)
Assay: 98.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:1.05200 to 1.05600 @ 20.00 °C.
Pounds per Gallon - (est).: 8.764 to 8.797
Refractive Index:1.44100 to 1.44400 @ 20.00 °C.
Melting Point: -76.00 to -75.00 °C. @ 760.00 mm Hg
Boiling Point: 172.00 to 173.00 °C. @ 1.00 mm Hg
Vapor Pressure:0.800000 mmHg @ 170.00 °C.
Vapor Density:14.1 ( Air = 1 )
Flash Point:> 230.00 °F. TCC ( > 110.00 °C. )
logP (o/w): 5.227 (est)
Soluble in:
 alcohol
 oils
 water, 0.6464 mg/L @ 25 °C (est)
 water, 5 mg/L @ C (exp)
Similar Items:note
acetyl triethyl citrate
 
Organoleptic Properties:
Odor Type: herbal
Odor Strength:low
Substantivity:204 hour(s) at 100.00 %
herbal winey sweet
Odor Description:at 100.00 %. very faint herbal wine sweet
Luebke, William tgsc, (1993)
Odor sample from: Morflex Chemical Company, Inc.
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: fragrance
perfuming agents
plasticisers
 
Suppliers:
Allan Chemical
Acetyl Tributyl Citrate
BOC Sciences
For experimental / research use only.
Acetyl Tributyl Citrate
Covalent Chemical
Acetyl Tributyl Citrate
Jungbunzlauer Suisse
CITROFOL® BII
Parchem
acetyl tributyl citrate
Penta International
ACETYL TRIBUTYL CITRATE USP
Penta International
ACETYL TRIBUTYL CITRATE
Pfaltz & Bauer
For experimental / research use only.
Acetyl tributylcitrate
Sigma-Aldrich
Tributyl 2-acetylcitrate, ≥98%, FG
Odor: herbaceous; wine-like; sweet
Certified Food Grade Products
TCI AMERICA
For experimental / research use only.
Tributyl O-Acetylcitrate >97.0%(GC)
 
Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
None - None found.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
 
Hazards identification
 
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
 
Pictogram
 
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
gavage-rat LD50 > 30000 mg/kg
Value represents the maximum dose level tested. Animals dosed at 30,000 mg/kg had 100% survival rate.
(Finkelstein & Gold, 1959)

intraperitoneal-mouse LD50 > 4000 mg/kg
Journal of Pharmaceutical Sciences. Vol. 53, Pg. 774, 1964.

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category:
flavor and fragrance agents
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Recommendation for acetyl tributyl citrate usage levels up to:
  15.0000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): ND (μg/capita/day)
Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS).
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library
publication number: 3
Click here to view publication 3
 average usual ppmaverage maximum ppm
baked goods: --
beverages(nonalcoholic): -0.40000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: --
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: --
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: --
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: --
soups: --
sugar substitutes: --
sweet sauces: --
 
Safety References:
European Food Safety Athority(EFSA):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...

European Food Safety Authority (EFSA) reference(s):

Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) on a request from the Commission related to - Flavouring Group Evaluation 10: Aliphatic primary and secondary saturated and unsaturated alcohols, aldehydes, acetals, carboxylic acids and esters containing an additional oxygenated functional group and lactones from chemical groups 9, 13 and 30 - (Commission Regulation (EC) No 1565/2000 of 18 July 2000)
View page or View pdf

Opinion of the Scientific Panel on food additives, flavourings, processing aids and materials in contact with food (AFC) related to a 10th list of substances for food contact materials
View page or View pdf

Flavouring Group Evaluation 10, Revision 1 (FGE10 Rev1)[1] - Aliphatic primary and secondary saturated and unsaturated alcohols, aldehydes, acetals, carboxylic acids and esters containing an additional oxygenated functional group and lactones from chemical groups 9, 13 and 30 - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food (AFC)
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 10, Revision 2 (FGE.10Rev2): Aliphatic primary and secondary saturated and unsaturated alcohols, aldehydes, acetals, carboxylic acids and esters containing an additional oxygenated functional group and lactones from chemical groups 9, 13 and 30
View page or View pdf

EPI System: View
Chemical Carcinogenesis Research Information System:Search
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):77-90-7
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :6505
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
tributyl 2-acetyloxypropane-1,2,3-tricarboxylate
Chemidplus:0000077907
RTECS:TZ8330000 for cas# 77-90-7
 
References:
 tributyl 2-acetyloxypropane-1,2,3-tricarboxylate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:77-90-7
Pubchem (cid):6505
Pubchem (sid):134972804
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2011 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
FDA Substances Added to Food (formerly EAFUS):View
FDA Indirect Additives used in Food Contact Substances:View
CHEMBL:View
HMDB (The Human Metabolome Database):HMDB34159
FooDB:FDB012444
Export Tariff Code:2918.15.5000
FDA Listing of Food Additive Status:View
ChemSpider:View
Wikipedia:View
FAO:Tributyl acetylcitrate
Formulations/Preparations:
grades: technical
 
Potential Blenders and core components note
For Odor
earthy
amyl octanoate
FL/FR
ethereal
iso
amyl acetoacetate
FL/FR
floral
gelsone (IFF)
FL/FR
herbal
iso
amyl tiglate
FL/FR
ethyl chrysanthemate
FR
For Flavor
No flavor group found for these
amyl octanoate
FL/FR
iso
amyl tiglate
FL/FR
fruity
fruity
iso
amyl acetoacetate
FL/FR
green
gelsone (IFF)
FL/FR
 
Potential Uses:
 film formers
FRherbal
 plasticisers
 solvents
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
2-acetoxy-1,2,3-propane tricarboxylic acid tributyl ester
2-acetoxy-1,2,3-propanetricarboxylic acid tributyl ester
 acetyl citric acid tributyl ester
2-(acetyl oxy)-1,2,3-propane tricarboxylic acid tributyl ester
2-acetyl tributyl citrate
 acetyl tributyl citrate NF USP
 acetyl tributylcitrate
 acetylcitric acid, tributyl ester
2-(acetyloxy)-1,2,3-propanetricarboxylic acid, tributyl ester
 acetyltributyl citrate
 blo-trol
 caswell no. 005ab
 citric acid tributyl ester acetate
 citric acid, O-acetyl-, tributyl ester
 citric acid, tributyl ester, acetate
 citroflex A 4
 citroflex A-4
 dibutyl 3-acetyloxy-3-(butoxycarbonyl)pentane-1,5-dioate
1,2,3-propanetricarboxylic acid, 2- (acetyloxy)-, tributyl ester
1,2,3-propanetricarboxylic acid, 2-(acetyloxy)-, tributyl ester
 TEC
 tributyl 2-(acetyl oxy)-1,2,3-propane tricarboxylate
 tributyl 2-(acetyloxy)-1,2, 3-propanetricarboxylic acid
 tributyl 2-(acetyloxy)-1,2,3-propanetricarboxylate
 tributyl 2-(acetyloxy)propane-1,2,3-tricarboxylate
 tributyl 2-acetoxy-1,2, 3-propanetricarboxylate
 tributyl 2-acetoxy-1,2,3-propane tricarboxylate
 tributyl 2-acetoxy-1,2,3-propanetricarboxylate
 tributyl 2-acetoxypropane-1,2,3-tricarboxylate
 tributyl 2-acetylcitrate
1,2,3-tributyl 2-acetyloxypropane-1,2,3-tricarboxylate
 tributyl acetyl citrate
 tributyl acetylcitrate
 tributyl citrate acetate
 tributyl O-acetyl citrate
 tributyl O-acetylcitrate
 uniplex 84
 

Articles:

PubMed:Pharmacokinetic Properties of Acetyl Tributyl Citrate, a Pharmaceutical Excipient
PubMed:Final report on the safety assessment of acetyl triethyl citrate, acetyl tributyl citrate, acetyl trihexyl citrate, and acetyl trioctyl citrate
PubMed:Acetyl tributyl citrate, the most widely used phthalate substitute plasticizer, induces cytochrome p450 3a through steroid and xenobiotic receptor
PubMed:Structural characterization of potential endocrine disrupting activity of alternate plasticizers di-(2-ethylhexyl) adipate (DEHA), acetyl tributyl citrate (ATBC) and 2,2,4-trimethyl 1,3-pentanediol diisobutyra
PubMed:Acetyl tributyl citrate and dibutyl sebacate inhibit the growth of cultured mammalian cells
PubMed:Effects of in vitro exposure to dibutyl phthalate, mono-butyl phthalate, and acetyl tributyl citrate on ovarian antral follicle growth and viability
PubMed:Development of new tissue conditioner using acetyl tributyl citrate and novel hyperbranched polyester to improve viscoelastic stability
PubMed:Effects of oral exposure to the phthalate substitute acetyl tributyl citrate on female reproduction in mice
PubMed:Toxicology of the citric acid esters: tributyl citrate, acetyl tributyl citrate, triethyl citrate, and acetyl triethyl citrate
PubMed:Preparation and Characterization of Bioplastic-Based Green Renewable Composites from Tapioca with Acetyl Tributyl Citrate as a Plasticizer
PubMed:Fabrication and characterization of poly(lactic acid)/acetyl tributyl citrate/carbon black as conductive polymer composites
PubMed:Citrate ester substitutes for di-2-ethylhexyl phthalate: In vivo reproductive and in vitro cytotoxicity assessments
PubMed:Assessment of endocrine-disrupting activities of alternative chemicals for bis(2-ethylhexyl)phthalate
PubMed:Dermal bioaccessibility of plasticizers in indoor dust and clothing
PubMed:Biocompatibility of wollastonite-poly(N-butyl-2-cyanoacrylate) composites
PubMed:Occurrence, toxicity and risk assessment of plastic additives in Besos river, Spain
PubMed:Influence of monomer type, plasticizer content, and powder/liquid ratio on setting characteristics of acrylic permanent soft denture liners based on poly(ethyl methacrylate/butyl methacrylate) and acetyl tribu
PubMed:Plasticizer Degradation by Marine Bacterial Isolates: A Proteogenomic and Metabolomic Characterization
PubMed:Hybrid Biocomposites Based on Poly(Lactic Acid) and Silica Aerogel for Food Packaging Applications
PubMed:Influence of Composition and Plasma Power on Properties of Film from Biodegradable Polymer Blends
PubMed:Biodiscovery of antibacterial constituents from the endolichenic fungi isolated from Parmotrema rampoddense
PubMed:Dermal exposure to plasticizers in nail polishes: An alternative major exposure pathway of phosphorus-based compounds
PubMed:Estimates of dietary exposure of Spanish population to packaging contaminants from cereal based foods contained in plastic materials
PubMed:Estimation of Dietary Exposure to Contaminants Transferred from the Packaging in Fatty Dry Foods Based on Cereals
PubMed:In Silico Investigation of First-Pass Effect on Selected Small Molecule Excipients and Structural Dynamics of P-glycoprotein
PubMed:Bionanocomposite films based on plasticized PLA-PHB/cellulose nanocrystal blends
PubMed:Effect of Extrusion Screw Speed and Plasticizer Proportions on the Rheological, Thermal, Mechanical, Morphological and Superficial Properties of PLA
PubMed:Cytocompatibility of new phthalate ester-free tissue conditioners in vitro
PubMed:GC-MS Screening Analysis for the Identification of Potential Migrants in Plastic and Paper-Based Candy Wrappers
PubMed:Identification of intentionally and non-intentionally added substances in plastic packaging materials and their migration into food products
PubMed:Novel Sustainable Composites Based on Poly(hydroxybutyrate-co-hydroxyvalerate) and Seagrass Beach-CAST Fibers: Performance and Degradability in Marine Environments
PubMed:The effect of crude drugs on the angiogenic property and dynamic viscoelasticity of PEMA-based soft polymer materials
PubMed:Processing Conditions, Thermal and Mechanical Responses of Stretchable Poly (Lactic Acid)/Poly (Butylene Succinate) Films
PubMed:Migration levels of PVC plasticisers: Effect of ionising radiation treatment
PubMed:Plasticized poly(lactic acid)-poly(hydroxybutyrate) (PLA-PHB) blends incorporated with catechin intended for active food-packaging applications
PubMed:Quantification of five plasticizers used in PVC tubing through high performance liquid chromatographic-UV detection
PubMed:Investigation of the interactions of enteric and hydrophilic polymers to enhance dissolution of griseofulvin following hot melt extrusion processing
PubMed:Target and non-target analysis of migrants from PVC-coated cans using UHPLC-Q-Orbitrap MS: evaluation of long-term migration testing
PubMed:The Effect of Reactive Ionic Liquid or Plasticizer Incorporation on the Physicochemical and Transport Properties of Cellulose Acetate Propionate-Based Membranes
PubMed:Occurrence of extractable ink residuals in packaging materials used in the Czech Republic
PubMed:Variables that affect the mechanism of drug release from osmotic pumps coated with acrylate/methacrylate copolymer latexes
PubMed:Effect of ionising radiation treatment on the specific migration characteristics of packaging-food simulant combinations: effect of type and dose of radiation
PubMed:Self-adhesive thin films for topical delivery of 5-aminolevulinic acid
PubMed:[Survey of plasticizers in polyvinyl chloride toys]
PubMed:Analysis of phthalic acid diesters, monoester, and other plasticizers in polyvinyl chloride household products in Japan
PubMed:[Examination of sex-hormonal activity of some additives for PVDC film]
PubMed:Migration and hydrolysis of hydrophobic polylactide plasticizer
PubMed:Determination of diethylhexyladipate and acetyltributylcitrate in aqueous extracts after cloud point extraction coupled with microwave assisted back extraction and gas chromatographic separation
PubMed:[Contents of plasticizers in cap-sealing for bottled food and their migration into food]
PubMed:Optimization of focused ultrasonic extraction of propellant components determined by gas chromatography/mass spectrometry
PubMed:[Material labeling of soft plastic toys and plasticizers in polyvinyl chloride products]
PubMed:Estimated daily intake of plasticizers in 1-week duplicate diet samples following regulation of DEHP-containing PVC gloves in Japan
PubMed:Development of a gas chromatographic/mass spectrometric method for determination of phthalates in oily foods
PubMed:Local demixion in plasticized polylactide probed by electron spin resonance
PubMed:Effect of high-dose electron beam irradiation on the migration of DOA and ATBC plasticizers from food-grade PVC and PVDC/PVC films, respectively, into olive oil
PubMed:Migration from plasticized films into foods. 3. Migration of phthalate, sebacate, citrate and phosphate esters from films used for retail food packaging
PubMed:Enhanced oxygen barrier properties of poly(lactic acid) via oxygen scavenging strategy combining with uniaxial stretching
PubMed:Biodegradation of Poly(Lactic Acid) Biocomposites under Controlled Composting Conditions and Freshwater Biotope
PubMed:Calculation of the dimensions of drug-polymer devices based on diffusion parameters
 
Notes:
Flavouring ingredient. Plasticiser used in packaging films for food [DFC]
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