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(Z)-3-hexen-1-yl propionate

Chemical Structure

General Material Information

Preferred name (Z)-3-hexen-1-yl propionate
Trivial Name cis-3-Hexenyl propionate
Short Description cis-3-hexenyl propionate
Formula C9 H16 O2
CAS Number 33467-74-2
FEMA Number 3933
Flavis Number 9.564
ECHA Number 251-533-2
FDA UNII Q6QY6N22M3
Nikkaji Number J59.829A
Beilstein Number 2076059
MDL MFCD00036534
COE Number 10683
xLogP3-AA 2.40 (est)
NMR Predictor External link
JECFA Food Flavoring 1274 cis-3-hexenyl propionate
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 33467-74-2 ; (Z)-3-HEXENYL PROPIONATE
Synonyms
  • (3Z)- hex-3-en-1-yl propanoate
  • (3Z)- hex-3-en-1-yl propionate
  • (Z)- hex-3-enyl propionate
  • cis- hex-3-enyl propionate
  • [(Z)- hex-3-enyl] propanoate
  • hex-3(cis)-enyl propionate
  • (Z)-3-hexen-1-ol propanoate
  • (Z)-3-hexen-1-ol propionate
  • 3-hexen-1-ol, propanoate, (3Z)-
  • 3-hexen-1-ol, propanoate, (Z)-
  • 3-hexen-1-ol, propionate, (Z)-
  • beta,gamma- hexen-1-yl propanoate
  • (Z)-3-hexen-1-yl propionate
  • cis-3-hexen-1-yl propionate
  • cis-beta- hexen-1-yl propionate
  • hexenyl cis-3 propionate
  • hexenyl cis-3 propionate natural
  • cis-3-hexenyl propanoate
  • 3-hexenyl propanoate, cis-
  • (Z)-3-hexenyl propionate
  • C3 hexenyl propionate
  • cis-3-hexenyl propionate
  • cis-3-hexenyl propionate natural
  • 3-hexenyl propionate, cis-
  • hexenyl-cis-3-propionate
  • propanoato cis-3-esenile
  • propionic acid cis-hex-3-en-1-yl ester
  • [(Z)-hex-3-enyl] propanoate
  • 3-Hexen-1-ol, 1-propanoate, (3Z)-
  • 3-Hexen-1-ol, propionate, (Z)-
  • 3-Hexen-1-ol, propanoate, (Z)-
  • 3-Hexen-1-ol, propanoate, (3Z)-
  • cis-3-Hexenyl propionate
  • cis-3-Hexenyl propanoate
  • cis-Hex-3-en-1-yl propanoate
  • (Z)-3-Hexenyl propionate

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

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Literature & References

[(Z)-hex-3-enyl] propanoate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:33467-74-2
Pubchem (cid):5365049
Pubchem (sid):134998984
Pherobase:View
Publications by Perfumer & Flavorist
Organoleptic Characteristics of Flavor Materials

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
CHEMBL:View
HMDB (The Human Metabolome Database):HMDB32322
FooDB:FDB017573
Export Tariff Code:2915.50.3000
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 156.22491455078
Specific gravity @ 25 °C
Pounds per Gallon 7.389 to 7.422
Refractive Index 1.428 to 1.431 @ 20 °C
Boiling Point 180 to 182°C @ 760 mm Hg
Boiling Point 83 to 84°C @ 17 mm Hg
Vapor Pressure 0.404 mmHg @ 25 °C
Vapor Density 5.3
Flash Point TCC Value 60 °C TCC
logP (o/w) 2.909 est
Solubility
alcohol Yes
water, 158.9 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Green
green, pear, apple, fresh, fruity, waxy, leafy, sweet
Odor strength medium , recommend smelling in a 10.00 % solution or less
Substantivity > 4 hour(s) at 100.00 %
Luebke, William tgsc, (1991) At 10.00 % in dipropylene glycol. green pear apple fresh fruity waxy leafy
Mosciano, Gerard P&F 21, No. 1, 33, (1996) Green, fruity, apple and pear with a sweet, leafy nuance
Flavor Type: Green
green, apple, pear, oily, waxy, citrus
Mosciano, Gerard P&F 21, No. 1, 33, (1996) At 5.00 ppm. Green, apple and pear with an oily, waxy, slightly citrus note
Used for a variety of fruity and tropical flavors including pear, apple, peach, pineapple, mango, passion fruit, raspberry, and other berries. Also useful for vegetable and.spices. Excellent fresh, sweet green fruity note

Occurrences

Potential Uses

Applications
Odor purposes Apple, Apricot, Banana, Citrus, Currant black currant, Fruit, Green, Guava, Kiwi, Mango, Melon, Peach, Pear, Pineapple, Plum, Raspberry, Rose, Spice
Flavoring purposes Tea, Tomato, Vegetable
Other purposes Waxy
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:
oral-rat LD50 > 5000 mg/kg
(Moreno, 1976f)

oral-rat LD50 > 5000 mg/kg
Food and Cosmetics Toxicology. Vol. 17, Pg. 805, 1979.

Dermal Toxicity:
skin-rabbit LD50 > 5000 mg/kg
Food and Cosmetics Toxicology. Vol. 17, Pg. 805, 1979.

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 propionate usage levels up to:
8.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 12.00 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 18.00 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): ND (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: 19
Click here to view publication 19
average usual ppmaverage maximum ppm
baked goods: 16.0000030.00000
beverages(nonalcoholic): --
beverages(alcoholic): 4.000008.00000
breakfast cereal: --
cheese: --
chewing gum: 0.100000.10000
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: 7.0000015.00000
fruit ices: --
gelatins / puddings: 4.000008.00000
granulated sugar: --
gravies: --
hard candy: 0.200000.20000
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):

Flavouring Group Evaluation 62 (FGE.62) Consideration of linear and branched-chain aliphatic unsaturated, unconjugated alcohols, aldehydes, acids, and related esters evaluated by JECFA (61st meeting) structurally related to esters of branched- and straight-chain aliphatic saturated primary alcohols and of one secondary alcohol, and branched- and straight-chain unsaturated carboxylic acids evaluated by EFSA in FGE.05 (2005) and to straight- and branched-chain aliphatic unsaturated primary alcohols, aldehydes, carboxylic acids, and esters evaluated by EFSA in FGE.06 (2004) (Commission Regulation (EC) No 1565/2000 of 18 July 2000)
View page or View pdf

Flavouring Group Evaluation 62 Rev1 (FGE.62 Rev1): Consideration of of linear and branched-chain aliphatic unsaturated, unconjugated alcohols, aldehydes, acids, and related esters evaluated by JECFA (61st and 68th meeting) structurally related to branched- and straight-chain unsaturated carboxylic acids and esters of these with aliphatic saturated alcohols evaluated by EFSA in FGE.05Rev2 (2010) and to straight- and branched-chain aliphatic unsaturated primary alcohols, aldehydes, carboxylic acids, and esters evaluated by EFSA in FGE.06Rev1 (2008)
View page or View pdf

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):33467-74-2
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :5365049
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
[(Z)-hex-3-enyl] propanoate
Chemidplus:0033467742