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

methyl 5-acetoxyhexanoate
methyl 5-acetyloxyhexanoate

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Fragrance Demo Formulas
CAS Number: 35234-22-1Picture of molecule3D/inchi
FDA UNII:9EO0I65AAO
Nikkaji Web:J146.076E
XlogP3-AA:1.10 (est)
Molecular Weight:188.22332000
Formula:C9 H16 O4
NMR Predictor:Predict (works with chrome or firefox)
Category:flavoring 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
JECFA Food Flavoring:1719 methyl 5-acetoxyhexanoate
DG SANTE Food Flavourings:09.632 methyl 5-acetoxyhexanoate
FEMA Number:4055 (+/-)-methyl 5-acetoxyhexanoate
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):35234-22-1 ; (+/-)-METHYL 5-ACETOXYHEXANOATE
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 97.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:1.01700 to 1.02700 @ 25.00 °C.
Pounds per Gallon - (est).: 8.462 to 8.546
Refractive Index:1.51900 to 1.52900 @ 20.00 °C.
Boiling Point: 194.00 to 195.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.080000 mmHg @ 25.00 °C. (est)
Flash Point: 215.00 °F. TCC ( 101.67 °C. )
logP (o/w): 1.331 (est)
Soluble in:
 alcohol
 water, 1443 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Strength:medium ,
recommend smelling in a 10.00 % solution or less
Odor Description:at 10.00 % in propylene glycol. fruity
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Axsyn
For experimental / research use only.
Hexanoic acid,5-(acetyloxy)-, methyl ester
Parchem
methyl 5-acetoxyhexanoate
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the Chemical Sources Association
 
Safety Information:
 
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:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category:
flavoring agents
Recommendation for methyl 5-acetoxyhexanoate usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.012 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): ND (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 3900 (μg/person/day)
Threshold of Concern:1800 (μg/person/day)
Structure Class: I
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: 21
Click here to view publication 21
 average usual ppmaverage maximum ppm
baked goods: 20.0000040.00000
beverages(nonalcoholic): 10.0000020.00000
beverages(alcoholic): 10.0000020.00000
breakfast cereal: --
cheese: --
chewing gum: 40.0000080.00000
condiments / relishes: 10.0000020.00000
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: 15.0000030.00000
fruit ices: 10.0000020.00000
gelatins / puddings: 15.0000030.00000
granulated sugar: --
gravies: --
hard candy: 20.0000040.00000
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: --
milk products: 10.0000020.00000
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: 15.0000030.00000
soups: --
sugar substitutes: --
sweet sauces: --
 
Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i).
Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm.
 average usage mg/kgmaximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0): 7.0000035.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0): 5.0000025.00000
Edible ices, including sherbet and sorbet (03.0): 10.0000050.00000
Processed fruit (04.1): 7.0000035.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): --
Confectionery (05.0): 10.0000050.00000
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 5.0000025.00000
Bakery wares (07.0): 10.0000050.00000
Meat and meat products, including poultry and game (08.0): 2.0000010.00000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): 2.0000010.00000
Eggs and egg products (10.0): --
Sweeteners, including honey (11.0): --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 5.0000025.00000
Foodstuffs intended for particular nutritional uses (13.0): 10.0000050.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 5.0000025.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 10.0000050.00000
Ready-to-eat savouries (15.0): 20.00000100.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 5.0000025.00000
 
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):

Scientific Opinion on Flavouring Group Evaluation 92 (FGE.92): Consideration of aliphatic acyclic diols, triols, and related substances evaluated by JECFA (68th meeting) structurally related to aliphatic primary and secondary saturated and unsaturated alcohols, aldehydes, acetals, carboxylic acids and esters containing an additional oxygenated functional group and lactones evaluated by EFSA in FGE.10Rev1 (2009)
View page or View pdf

EPI System: View
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :526152
National Institute of Allergy and Infectious Diseases:Data
methyl 5-acetyloxyhexanoate
Chemidplus:0035234221
 
References:
 methyl 5-acetyloxyhexanoate
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):526152
Pubchem (sid):135303531
Pherobase:View
 
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
HMDB (The Human Metabolome Database):HMDB32387
FooDB:FDB009807
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 pineapple fruit
Search Trop Picture
 
Synonyms:
5-acetoxyhexanoic acid methyl ester
5-(acetyl oxy)-hexanoic acid methyl ester
5-(acetyloxy)-hexanoic acid methyl ester
 hexanoic acid, 5-(acetyloxy)-, methyl ester
 methyl 5-(acetyloxy)hexanoate
(+/-)-methyl 5-acetoxyhexanoate
(±)-methyl 5-acetoxyhexanoate
 methyl 5-acetyloxyhexanoate
 methyl hexanoate, 5-acetoxy
 

Articles:

 None found yet.
 
Notes:
Used as a food additive [EAFUS]
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