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General Material Information

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
  • (3Z)- hex-3-en-1-yl (3Z)-hex-3-enoate
  • (Z)- hex-3-enyl (Z)-hex-3-enoate
  • cis- hex-3-enyl cis-hex-3-enoate
  • [(Z)- hex-3-enyl] (Z)-hex-3-enoate
  • hex-3Z-enyl hex-3Z-enoate
  • (Z)-3-hexen-1-yl (Z)-3-hexenoate
  • cis-3-hexen-1-yl cis-3-hexenoate
  • (3Z)-3-hexenoic acid (3Z)-3-hexenyl ester
  • (Z,Z)-3-hexenoic acid 3-hexenyl ester
  • 3-hexenoic acid, (3Z)-3-hexen-1-yl ester, (3Z)-
  • 3-hexenoic acid, (3Z)-3-hexenyl ester, (3Z)-
  • 3-hexenoic acid, 3-hexenyl ester, (Z,Z)-
  • (Z)-3-hexenyl (Z)-3-hexenoate
  • 3-hexenyl (Z)-3-hexenoate, (Z)-
  • C3 hexenyl C3 hexenoate
  • cis-3-hexenyl cis-3-hexenoate
  • cis-3-hexenyl cis-3-hexenoate (natural)
  • cis-3-hexenyl cis-3-hexenoate natural
  • 3-hexenyl cis-3-hexenoate, cis-
  • [(Z)-hex-3-enyl] (Z)-hex-3-enoate
  • 3-Hexenoic acid, (3Z)-3-hexen-1-yl ester, (3Z)-
  • 3-Hexenoic acid, 3-hexenyl ester, (Z,Z)-
  • 3-Hexenoic acid, (3Z)-3-hexenyl ester, (3Z)-
  • cis-3-Hexenyl cis-3-hexenoate

US / EU / FDA / JECFA / FEMA / Scholar / Patents

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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):HMDB38270
FooDB:FDB017568
Export Tariff Code:2916.19.6000
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View

PhysChem Properties

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

Organoleptic Properties

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

Occurrences

Potential Uses

Applications
Odor purposes Apple, Fruit, Green, Kiwi, Mango, Melon, Pear, Strawberry, Tobacco, Violet
Flavoring purposes Tomato
Other purposes Natural
Cosmetic purposes Perfuming agents

Safety Information

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:
Not determined
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 (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 ppmaverage 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: --

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) 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