Preferred name | (Z)-3-hexen-1-yl (Z)-3-hexenoate |
Trivial Name | cis-3-Hexenyl cis-3-hexenoate |
Short Description | cis-3-hexenyl cis-3-hexenoate |
Formula | C12 H20 O2 |
CAS Number | 61444-38-0 |
FEMA Number | 3689 |
Flavis Number | 9.291 |
ECHA Number | 262-797-3 |
FDA UNII | KNS0IV43AT |
Nikkaji Number | J208.610G |
MDL | MFCD00036652 |
xLogP3-AA | 3.30 (est) |
NMR Predictor | External link |
JECFA Food Flavoring | 336 cis-3-hexenyl cis-3-hexenoate |
FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
FDA Mainterm | 61444-38-0 ; CIS-3-HEXENYL CIS-3-HEXENOATE |
Synonyms |
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Google Scholar | Start search |
Google Books | Start search |
Google Patents | Start search |
Perfumer & Flavorists | Start search |
EU Patents | Start search |
PubMeb | Start search |
NCBI | Start search |
(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): | HMDB38270 |
FooDB: | FDB017568 |
Export Tariff Code: | 2916.19.6000 |
VCF-Online: | VCF Volatile Compounds in Food |
ChemSpider: | View |
Material listed in food chemical codex | No |
Molecular weight | 196.28979492188 |
Specific gravity | @ 25 °C |
Pounds per Gallon | 7.198 to 7.506 |
Refractive Index | 1.447 to 1.455 @ 20 °C |
Acid Value | 1 max KOH/g |
Vapor Pressure | 0.0122 mmHg @ 25 °C |
Vapor Density | 1 |
Flash Point TCC Value | 98.89 °C TCC |
logP (o/w) | 4.298 est |
Solubility | |
alcohol | Yes |
water, 8.588 mg/L @ 25 °C (est) | Yes |
water | No |
Odor Type: Green | |
green, tomato leaf, pear, melon, metallic, fennel, tropical | |
Odor strength | medium |
Substantivity | 13 hour(s) at 100.00 % |
Luebke, William tgsc, (2009) | At 100.00 %. green tomato leaf pear melon metallic fennel tropical |
Flavor Type: Green | |
green, fruity, pear, melon, tropical, banana peel, tomato leaf, metallic | |
Luebke, William tgsc, (2009) | Green fruity pear melon tropical banana peel tomato leaf metallic |
Can be used in kiwi, strawberry, mango, and tea notes. | Fruity, sweet, green, very good bartlett pear |
General comment | Green metallic green tomato |
(data available) |
Applications | |
Odor purposes | Apple , Fruit , Green , Kiwi , Mango , Melon , Pear , Strawberry , Tobacco , Violet |
Flavoring purposes | Tomato |
Other purposes | Natural |
Cosmetic purposes | Perfuming agents |
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: | |
Not determined | |
Dermal Toxicity: | |
Not determined | |
Inhalation Toxicity: | |
Not determined |
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 (Z)-3-hexen-1-yl (Z)-3-hexenoate usage levels up to: | |||
12.0000 % in the fragrance concentrate. | |||
Maximised Survey-derived Daily Intakes (MSDI-EU): | 3.20 (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: 13 | |||
Click here to view publication 13 | |||
average usual ppm | average maximum ppm | ||
baked goods: | - | - | |
beverages(nonalcoholic): | - | 0.50000 | |
beverages(alcoholic): | - | - | |
breakfast cereal: | - | - | |
cheese: | - | - | |
chewing gum: | - | 2.00000 | |
condiments / relishes: | - | - | |
confectionery froastings: | - | 0.50000 | |
egg products: | - | - | |
fats / oils: | - | - | |
fish products: | - | - | |
frozen dairy: | - | - | |
fruit ices: | - | 0.20000 | |
gelatins / puddings: | - | 1.00000 | |
granulated sugar: | - | - | |
gravies: | - | - | |
hard candy: | - | 1.00000 | |
imitation dairy: | - | 0.50000 | |
instant coffee / tea: | - | - | |
jams / jellies: | - | 1.00000 | |
meat products: | - | - | |
milk products: | - | - | |
nut products: | - | - | |
other grains: | - | - | |
poultry: | - | - | |
processed fruits: | - | - | |
processed vegetables: | - | - | |
reconstituted vegetables: | - | 1.00000 | |
seasonings / flavors: | - | - | |
snack foods: | - | - | |
soft candy: | - | - | |
soups: | - | - | |
sugar substitutes: | - | - | |
sweet sauces: | - | - |
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) related to Flavouring Group Evaluation 6 (FGE.06): Straight-and branched-chain aliphatic unsatured primary alcohols, aldehydes, carboxylic acids, and esters from chemical groups 1 and 4 View page or View pdf |
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 5: Esters of 23 branched- and straight-chain aliphatic saturated primary alcohols and of one secondary alcohol, and 24 branched- and straight-chain unsaturated carboxylic acids from chemical groups 1, 2, and 5 View page or View pdf |
Flavouring Group Evaluation 6, Revision 1 (FGE.06Rev1) - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) View page or View pdf |
Flavouring Group Evaluation 5, Revision 1 (FGE.05Rev1):Esters of branched- and straight-chain aliphatic saturated primary alcohols and of one secondary alcohol, and branched- and straight-chain unsaturated carboxylic acids from chemical groups 1, 2, and 5 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) [1] - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) View page or View pdf |
Flavouring Group Evaluation 5, Revision 2 (FGE.05Rev2): Branched- and straight-chain unsaturated carboxylic acids and esters of these with aliphatic saturated alcohols from chemical groups 1, 2, 3 and 5 View page or View pdf |
EPI System: View |
AIDS Citations:Search |
Cancer Citations:Search |
Toxicology Citations:Search |
EPA Substance Registry Services (TSCA):61444-38-0 |
EPA ACToR:Toxicology Data |
EPA Substance Registry Services (SRS):Registry |
Laboratory Chemical Safety Summary :6435882 |
National Institute of Allergy and Infectious Diseases:Data |
WGK Germany:3 |
[(Z)-hex-3-enyl] (Z)-hex-3-enoate |
Chemidplus:0061444380 |