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8-ocimen-1-yl acetate
8-ocimenyl acetate

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Flavor Demo Formulas
CAS Number: 197098-61-6Picture of molecule3D/inchi
FDA UNII:W2V2V624KM
Molecular Weight:194.27386000
Formula:C12 H18 O2
NMR Predictor:Predict (works with chrome or firefox)
EFSA/JECFA Comments:
According to JECFA: Min. assay value is 96 % (sum of isomers). 14-20 % (2Z,5Z); 33-40 % (2Z,5E); 14-19 % (2E,5Z); 26-33 % (2E,5E) (EFFA, 2013). CASrn to be changed to: 197098-61-6. Substance already evaluated in FGE.207
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
JECFA Food Flavoring:1226 8-ocimenyl acetate
FLAVIS Number:09.931 (Old)
DG SANTE Food Flavourings:09.931 2,6-dimethyl-2,5,7-octatriene-1-ol acetate
FEMA Number:3886 8-ocimenyl acetate
FDA:No longer provide for the use of these seven synthetic flavoring substances
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 96.00 to 100.00 sum of isomers
Food Chemicals Codex Listed: No
Specific Gravity:0.93700 to 0.94700 @ 25.00 °C.
Pounds per Gallon - (est).: 7.797 to 7.880
Refractive Index:1.49000 to 1.50000 @ 20.00 °C.
Boiling Point: 70.00 °C. @ 2.30 mm Hg
Boiling Point: 270.00 to 271.00 °C. @ 760.00 mm Hg
Acid Value: 2.00 max. KOH/g
Vapor Pressure:0.007000 mmHg @ 25.00 °C. (est)
Flash Point: 217.00 °F. TCC ( 102.78 °C. )
logP (o/w): 3.746 (est)
Soluble in:
 alcohol
 water, 9.217 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Description:at 100.00 %. fruity
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Parchem
8-ocimen-1-yl acetate
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 8-ocimen-1-yl acetate usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 1.20 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 7.70 (μg/capita/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: 18
 average usual ppmaverage maximum ppm
baked goods: --
beverages(nonalcoholic): 1.000005.00000
beverages(alcoholic): 2.0000010.00000
breakfast cereal: --
cheese: --
chewing gum: 20.00000100.00000
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: --
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: 10.0000050.00000
imitation dairy: --
instant coffee / tea: 2.0000010.00000
jams / jellies: --
meat products: --
milk products: 2.0000010.00000
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):

Scientific Opinion on Flavouring Group Evaluation 207 (FGE.207): Consideration of genotoxic potential for one branched-chain aliphatic acyclic a,-unsaturated 2-alkylated aldehyde with additional double-bonds, from subgroup 1.1.2 of FGE.19 and four alicyclic aldehydes with the a,-unsaturation in a side-chain, from subgroup 2.1 of FGE.19, which are considered to be covered by the one substance of subgroup 1.1.2, by EFSA
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 201 Revision 1 (FGE.201Rev1): 2-Alkylated, aliphatic, acyclic alpha,beta-unsaturated aldehydes and precursors, with or without additional double-bonds, from chemical subgroup 1.1.2 of FGE.19.
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 73, Revision 2 (FGE.73Rev2): Consideration of alicyclic primary alcohols, aldehydes, acids and related esters evaluated by JECFA (59th meeting) structurally related to primary saturated or unsaturated alicyclic alcohols, aldehydes, acids and esters evaluated by EFSA in FGE.12Rev3 (2012)
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 12, Revision 4 (FGE.12Rev4): primary saturated or unsaturated alicyclic alcohols, aldehydes, acids and esters from chemical groups 1 and 7
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 72, Revision 1 (FGE.72Rev1): Consideration of aliphatic, branched-chain saturated and unsaturated alcohols, aldehydes, acids, and related esters evaluated by the JECFA (61st meeting) structurally related to branched- and straight-chain unsaturated carboxylic acids, esters of these and straight-chain aliphatic saturated alcohols evaluated by EFSA in FGE.05Rev2
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 73, Revision 4 (FGE.73Rev4): consideration of alicyclic alcohols, aldehydes, acids and related esters evaluated by JECFA (59th and 63rd meeting) structurally related to primary saturated or unsaturated alicyclic alcohols, aldehydes, acids and esters evaluated by EFSA in FGE.12Rev5
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 201 Revision 2 (FGE.201Rev2): 2-alkylated, aliphatic, acyclic alpha,beta-unsaturated aldehydes and precursors, with or without additional double-bonds, from chemical subgroup 1.1.2 of FGE.19
View page or View pdf

EPI System: View
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
National Institute of Allergy and Infectious Diseases:Data
(2E,5Z)-2,6-dimethylocta-2,5,7-trien-1-yl acetate
Chemidplus:0197098616
 
References:
 (2E,5Z)-2,6-dimethylocta-2,5,7-trien-1-yl acetate
NIST Chemistry WebBook:Search Inchi
Pubchem (cas):197098-61-6
 
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
HMDB (The Human Metabolome Database):HMDB39685
FooDB:FDB019314
ChemSpider:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
2,6-dimethyl-2,5,7-octatriene-1-ol acetate
2,6-dimethyl-2,5,7-octatriene-1-yl acetate
2,6-dimethyl-2,5,7-octatrienyl acetate
(2E,5Z)-2,6-dimethylocta-2,5,7-trien-1-yl acetate
2,6-dimethylocta-2,5,7-trien-1-yl acetate
8-ocimenyl acetate
2,5,7-octatrien-1-ol, 2,6-dimethyl-, acetate
 piperitanate
 

Articles:

 None found yet.
 
Notes:
Flavouring ingredient for alcoholic or nonalcoholic beverages, chewing gum and candy with fruity aroma
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