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trans-hexyl crotonate
Notes:
None found
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Chemical sources Association Inc Exchange of knowledge Need This Item for Flavor? You can contact the Chemical Sources Association. Events Links Product(s):
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| CAS Number: | 1617-25-0 |  3D/inchi
|
| FDA UNII: | L8K16M475M | |
| Nikkaji Web: | J57.852E | |
| Beilstein Number: | 2431113 | |
| XlogP3: | 3.20 (est) | |
| Molecular Weight: | 170.25186000 | |
| Formula: | C10 H18 O2 | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
| EFSA/JECFA Comments: | Register CASrn refers to the (E)-isomer. | |
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 |
| DG SANTE Food Flavourings: | 09.578 hexyl (E)-but-2-enoate |
Physical Properties:
| Appearance: | colorless to pale yellow clear liquid (est) |
| Assay: | 95.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Boiling Point: | 213.00 to 215.00 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 0.146000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 192.00 °F. TCC ( 88.89 °C. ) |
| logP (o/w): | 3.973 (est) |
| Soluble in: | |
| alcohol | |
| water, 52.1 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 | |
| (E)-3-hexen-1-yl crotonate | |
| octyl crotonate | |
| phenethyl crotonate | |
| 3-phenyl propyl crotonate | |
| plum crotonate | |
| isopropyl (E)-crotonate | |
| propyl crotonate | |
| isopropyl 3-methyl thiocrotonate | |
Organoleptic Properties:
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| Chemical Sources Association |
| Need This Item for Flavor/Food?: You can contact the CSA |
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)-hexyl crotonate usage levels up to: | |||
| not for fragrance use. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 2.60 (μg/capita/day) | ||
| Threshold of Concern: | 1800 (μg/person/day) | ||
| Structure Class: | I | ||
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): | |
| Scientific Opinion on Flavouring Group Evaluation 71: Consideration of aliphatic, linear, alpha,beta-unsaturated carboxylic acids and related esters View page or View pdf | |
| Flavouring Group Evaluation 72 (FGE.72): Consideration of aliphatic, branched-chain saturated and unsaturated alcohols, aldehydes, acids, and related esters evaluated by the JECFA (61st meeting) structurally related to branched- and straight-chain unsaturated carboxylic acids. Esters of these and straight-chain aliphatic saturated alcohols evaluated by EFSA in FGE.05Rev2 (2010) View page or View pdf | |
| Flavouring Group Evaluation 5, Revision 2 (FGE.05Rev2): Branched- and straight-chain unsaturated carboxylic acids and esters of these with aliphatic saturated alcohols from chemical groups 1, 2, 3 and 5 View page or View pdf | |
| Scientific Opinion on Flavouring Group Evaluation 5, Revision 3 (FGE.05Rev3): Branched- and straight-chain unsaturated aldehydes, dienals, unsaturated and saturated carboxylic acids and related esters with saturated and unsaturated aliphatic alcohols and a phenylacetic acid related ester from chemical groups 1, 2, 3, 5 and 15 View page or View pdf | |
| EPI System: | View |
| AIDS Citations: | Search |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| EPA Substance Registry Services (TSCA): | 1617-25-0 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 5366038 |
| National Institute of Allergy and Infectious Diseases: | Data |
| hexyl (E)-but-2-enoate | |
| Chemidplus: | 0001617250 |
References:
| hexyl (E)-but-2-enoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 5366038 |
| Pubchem (sid): | 135036906 |
| Pherobase: | View |
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 |
| CHEMBL: | View |
| HMDB (The Human Metabolome Database): | Search |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Potential Blenders and core components note
Potential Uses:
| None Found |
Occurrence (nature, food, other): note
| carica candamarcensis Search Trop Picture | |
| passiflora mollissima Search Trop Picture | |
| passiflora species - up to 0.01 mg/kg Search PMC Picture |
Synonyms:
| (2E)-2- | butenoic acid (E)-hexyl ester |
| 2- | butenoic acid, hexyl ester, (2E)- |
| 2- | butenoic acid, hexyl ester, (E)- |
| (E)- | crotonic acid (E)-hexyl ester |
| trans- | crotonic acid trans-hexyl ester |
| crotonic acid, hexyl ester, (E)- | |
| hexyl (2E)-but-2-enoate | |
| hexyl (E)-but-2-enoate | |
| (E)- | hexyl 2-butenoate |
| trans- | hexyl 2-butenoate |
| trans- | hexyl crotonate |
| hexyl trans-2-butenoate | |
| hexyl trans-but-2-enoate |