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(E)-3-hexen-1-yl crotonate
General Material Information
| Preferred name | (E)-3-hexen-1-yl crotonate |
| Trivial Name | (3E)-3-Hexen-1-yl (2E)-2-butenoate |
| Short Description | trans-3-hexenyl crotonate |
| Formula | C10 H16 O2 |
| CAS Number | 68938-58-9 |
| ECHA Number | 273-131-6 |
| FDA UNII | Search |
| Nikkaji Number | J332.767A |
| xLogP3-AA | 2.70 (est) |
| NMR Predictor | External link |
| Synonyms |
|
US / EU / FDA / JECFA / FEMA / Scholar / Patents
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| Google Books | Start search |
| Google Patents | Start search |
| Perfumer & Flavorists | Start search |
| EU Patents | Start search |
| PubMeb | Start search |
| NCBI | Start search |
Literature & References
| [(E)-hex-3-enyl] (E)-but-2-enoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 6436990 |
| Pubchem (sid): | 135061834 |
| Publications by US Patents | |
| 8,183,200 - Organoleptic compound | |
| Organoleptic compound | |
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 |
| HMDB (The Human Metabolome Database): | Search |
| ChemSpider: | View |
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 168.2359161377 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 7.439 to 7.522 |
| Refractive Index | 1.427 to 1.437 @ 20 °C |
| Boiling Point | 223 to 224°C @ 760 mm Hg |
| Vapor Pressure | 0.085 mmHg @ 25 °C |
| Flash Point TCC Value | 96.11 °C TCC |
| logP (o/w) | 3.647 est |
| Solubility | |
| alcohol | Yes |
| water, 81.27 mg/L @ 25 °C (est) | Yes |
| water | No |
Organoleptic Properties
| Odor Type: Green | |
| green, fresh, dirty, chemical, metallic | |
| General comment | At 100.00 %. green, fresh, slightly dirty, chemical, and metallic |
Safety Information
Safety information
| 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: | |||
| flavoring agents | |||
| Recommendation for (E)-3-hexen-1-yl crotonate usage levels up to: | |||
| not for fragrance use. | |||
Safety references
| 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) 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 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 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 |
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):68938-58-9 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :6436990 |
| National Institute of Allergy and Infectious Diseases:Data |
| [(E)-hex-3-enyl] (E)-but-2-enoate |
| Chemidplus:0065405803 |