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

Sponsors

Name:tributyl 2-acetyloxypropane-1,2,3-tricarboxylate
CAS Number: 77-90-7Picture of molecule3D/inchi
Other: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 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
FLAVIS Number:09.511 (Old)
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: 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 mm/Hg @ 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: masking agents
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 , Kosher
Penta International
ACETYL TRIBUTYL CITRATE NF USP, Kosher
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
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
 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
NLM Hazardous Substances Data Bank:Search
Chemical Carcinogenesis Research Information System:Search
Toxicology Citations:Search
Env. Mutagen Info. Center: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 2009
(IUPAC):Atomic Weights of the Elements 2009 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
FDA Everything Added to Food in the United States (EAFUS):View
CHEMBL:View
HMDB (The Human Metabolome Database):HMDB34159
FooDB:FDB012444
Export Tariff Code:2918.15.5000
Haz-Map:View
Household Products:Search
ChemSpider:View
Wikipedia:View
RSC Learn Chemistry: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
 
 
Notes:
Flavouring ingredient. Plasticiser used in packaging films for food [DFC]
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