Articles:
| US Patents: | 8,183,200 - Organoleptic compound |
| US Patents: | Organoleptic compound |
trans-3-hexenyl crotonate
Notes:
None found
| CAS Number: | 68938-58-9 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 273-131-6 | |
| Nikkaji Web: | J332.767A | |
| XlogP3-AA: | 2.70 (est) | |
| Molecular Weight: | 168.23592000 | |
| Formula: | C10 H16 O2 | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
Category: flavoring agents
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
| Google Scholar: | Search |
| Google Books: | Search |
| Google Scholar: with word "volatile" | Search |
| Google Scholar: with word "flavor" | Search |
| Google Scholar: with word "odor" | Search |
| Perfumer and Flavorist: | Search |
| Google Patents: | Search |
| US Patents: | Search |
| EU Patents: | Search |
| Pubchem Patents: | Search |
| PubMed: | Search |
| NCBI: | Search |
Physical Properties:
| Appearance: | colorless to pale yellow clear liquid (est) |
| Assay: | 97.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.89400 to 0.90400 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 7.439 to 7.522 |
| Refractive Index: | 1.42700 to 1.43700 @ 20.00 °C. |
| Boiling Point: | 223.00 to 224.00 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 0.085000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 205.00 °F. TCC ( 96.11 °C. ) |
| logP (o/w): | 3.647 (est) |
| Soluble in: | |
| alcohol | |
| water, 81.27 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
| Similar Items: note | |
| allyl crotonate | |
| isoamyl crotonate | |
| apple crotonate | |
| benzyl crotonate | |
| butyl (E)-2-crotonate | |
| citronellyl crotonate | |
| cyclohexyl crotonate | |
| dimethyl benzyl carbinyl crotonate | |
| ethyl (E)-2-crotonate | |
| ethyl crotonate | |
| fig crotonate | |
| geranyl crotonate | |
| heptyl crotonate | |
| (Z)-3-hexen-1-yl (E)-crotonate | |
| hexyl (E)-crotonate | |
| octyl crotonate | |
| phenethyl crotonate | |
| 3-phenyl propyl crotonate | |
| plum crotonate | |
| isopropyl (E)-crotonate | |
| propyl crotonate | |
| isopropyl 3-methyl thiocrotonate | |
Organoleptic Properties:
| Odor Type: green | |
| green fresh dirty chemical metallic | |
| Odor Description: at 100.00 %. | green, fresh, slightly dirty, chemical, and metallic |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| None found |
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 |
References:
| [(E)-hex-3-enyl] (E)-but-2-enoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 6436990 |
| Pubchem (sid): | 135061834 |
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 |
Potential Blenders and core components note
| For Odor | ||
| balsamic | ||
| annus | wormwood oil france | FL/FR |
| floral | ||
| muguet carbinol | FL/FR | |
| For Flavor | ||
| No flavor group found for these | ||
| 4,4'- | thiobis-2-butanone | FL |
| annus | wormwood oil france | FL/FR |
| floral | ||
| muguet carbinol | FL/FR | |
Potential Uses:
| None Found |
Occurrence (nature, food, other): note
| not found in nature |
Synonyms:
| (3E)- | hex-3-en-1-yl (2E)-but-2-enoate |
| [(E)- | hex-3-enyl] (E)-but-2-enoate |
| (E)-3- | hexen-1-yl (E)-2-butenoate |
| trans-3- | hexen-1-yl crotonate |
| trans-3- | hexen-1-yl trans-2-butenoate |
| (E)-3- | hexenyl crotonate |
| trans-3- | hexenyl crotonate |