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

Chemical Structure

General Material Information

Preferred name (Z)-3-hexen-1-yl valerate
Trivial Name cis-3-Hexenyl valerate
Short Description cis-3-hexenyl valerate
Formula C11 H20 O2
CAS Number 35852-46-1
FEMA Number 3936
Flavis Number 9.571
ECHA Number 252-761-5
FDA UNII FLC67L4NLM
Nikkaji Number J267.138G
MDL MFCD00036549
COE Number 10686
xLogP3-AA 3.30 (est)
NMR Predictor External link
JECFA Food Flavoring 1278 cis-3-hexenyl valerate
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 35852-46-1 ; (Z)-3-HEXENYL VALERATE
Synonyms
  • (Z)- hex-3-enyl valerate
  • cis- hex-3-enyl valerate
  • [(Z)- hex-3-enyl] pentanoate
  • (Z)-3-hexen-1-ol, pentanoate
  • (Z)-3-hexen-1-yl pentanoate
  • cis-3-hexen-1-yl pentanoate
  • (Z)-3-hexen-1-yl valerate
  • cis-3-hexen-1-yl valerate
  • cis-3-hexenyl N-valerate
  • cis-3-hexenyl pentanoate
  • (3Z)- hexenyl valerate
  • (Z)-3-hexenyl valerate
  • cis-3-hexenyl valerate
  • hexenyl-cis-3-valerate
  • (Z)- pentanoic acid 3-hexen-1-yl ester
  • pentanoic acid, 3-hexenyl ester, (Z)-
  • (Z)- valeric acid 3-hexen-1-yl ester
  • valeric acid, 3-hexenyl ester, (Z)-
  • [(Z)-hex-3-enyl] pentanoate
  • Pentanoic acid, (3Z)-3-hexen-1-yl ester
  • Pentanoic acid, (3Z)-3-hexenyl ester
  • cis-3-Hexenyl valerate
  • cis-3-Hexenyl pentanoate
  • cis-Hex-3-en-1-yl pentanoate
  • Z-3-Hexenyl valerate

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):HMDB31691
FooDB:FDB008354
Export Tariff Code:2915.60.0000
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 184.27879333496
Specific gravity @ 25 °C
Pounds per Gallon 7.314 to 7.364
Refractive Index 1.432 to 1.438 @ 20 °C
Boiling Point 108 to 109°C @ 20 mm Hg
Acid Value 1 max KOH/g
Vapor Pressure 0.046 mmHg @ 25 °C
Vapor Density 6.3
Flash Point TCC Value 88.89 °C TCC
logP (o/w) 3.928 est
Solubility
alcohol Yes
water, 16.97 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Green
green, fruity, apple, pear, kiwi, banana unripe banana, tropical, estery, fresh, grape, banana
Odor strength medium
Substantivity 4 hour(s) at 100.00 %
Luebke, William tgsc, (2009) At 100.00 %. green fruity apple pear kiwi unripe banana tropical
Mosciano, Gerard P&F 25, No. 5, 72, (2000) At 1.00 %. Heavy green with an estry fresh fruity nuance of apple, pear, grape, banana and kiwi
Flavor Type: Green
green, fresh, juicy, fruity, juicy fruit, apple, pear, kiwi, tropical
Mosciano, Gerard P&F 25, No. 5, 72, (2000) At 1.00 - 10.00 ppm. Green, with fresh to unripe juicy fruity notes reminiscent of apple, pear, kiwi, with tropical nuances
Useful for aged cheese. Also fruits, especially strawberry jam, ripe apple, and tropical varieties. Green, ripe fruit, cheesy, and buttery notes

Occurrences

Potential Uses

Applications
Odor purposes Apple, Banana, Butter, Fruit, Grape, Green, Kiwi, Lychee, Mango, Melon, Pear
Flavoring purposes Tea black tea
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.
S 36 - Wear suitable protective clothing.
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
1/10 rats died after a dose of 5000 mg/kg.
(Moreno, 1978d)

oral-rat LDLo 5000 mg/kg
Food and Chemical Toxicology. Vol. 30, Pg. 47S, 1992.

Dermal Toxicity:
skin-rabbit LDLo 5000 mg/kg
Food and Chemical Toxicology. Vol. 30, Pg. 47S, 1992.

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 valerate usage levels up to:
10.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 6.10 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 9.00 (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. Update in publication number(s): 20
Click here to view publication 19
average usual ppmaverage maximum ppm
baked goods: 15.0000030.00000
beverages(nonalcoholic): 0.500003.00000
beverages(alcoholic): 4.000008.00000
breakfast cereal: --
cheese: --
chewing gum: 5.0000030.00000
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: 7.0000015.00000
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: 3.0000018.00000
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: --
milk products: 0.500003.00000
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):

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

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 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):35852-46-1
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :5352976
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
[(Z)-hex-3-enyl] pentanoate
Chemidplus:0035852461
RTECS:SA3698000 for cas# 35852-46-1