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(Z)-3-hexen-1-yl valerate
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 |
|
US / EU / FDA / JECFA / FEMA / Scholar / Patents
| 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 |
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 |
Suppliers
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
| (data available) |
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 ppm | average maximum ppm | ||
| baked goods: | 15.00000 | 30.00000 | |
| beverages(nonalcoholic): | 0.50000 | 3.00000 | |
| beverages(alcoholic): | 4.00000 | 8.00000 | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | 5.00000 | 30.00000 | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | 7.00000 | 15.00000 | |
| fruit ices: | - | - | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | 3.00000 | 18.00000 | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | - | |
| meat products: | - | - | |
| milk products: | 0.50000 | 3.00000 | |
| 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 |