Articles:
| None found yet. Try the PubMed Search. |
-
Bedoukian Research, Inc. Constantly Improving Working closely with our customers to meet their requirements. Paul Bedoukian founded the company to fill a niche as a supplier of high quality specialty aroma and flavor ingredients. In 1975 the company began manufacturing insect pheromones which are chemically similar to flavor and fragrance ingredients. Today, Bedoukian Research offers more than 450 Aroma Chemicals and 50 Insect Pheromones, while also providing custom manufacturing services to the pharmaceutical, agrochemical, and specialty chemical industries. US Email: Customer Service US Voice: 1-203-830-4000 US Fax: 1-203-830-4010 Products List: View Product(s): 145 trans-2-HEXEN-1-YL ISOVALERATE
-
-
Penta International Corporation Chemistry innovation At Penta, our products and services help businesses do business better. For over 30 years, Penta Manufacturing Company has played a growing role in worldwide chemistry innovations and applications. As an industry leader, Penta continues to pioneer chemistry-based solutions for practically every area of commerce. Our products and expertise have helped fuel technical advances in dozens of commercial applications including flavoring, coloring, fragrances and chemical processes. US Email: Technical Services US Email: Sales US Voice: (973) 740-2300 US Fax: (973) 740-1839 Product(s): 08-33850 trans-2-HEXENYL ISOVALERATE, Kosher
-
| [(E)-hex-2-enyl] 3-methylbutanoate (Click)
IUPAC Name: [(E)-hex-2-enyl] 3-methylbutanoate
Std.InChI: InChI=1S/C11H20O2/c1-4-5-6-7-8-13-11(12)9-10(2)3/h6-7,10H,4-5,8-9H2,1-3H3/b7-6+
InChI: InChI=1/C11H20O2/c1-4-5-6-7-8-13-11(12)9-10(2)3/h6-7,10H,4-5,8-9H2,1-3H3/b7-6+
Std.InChIKey: SAVRWHQEMHIAEB-VOTSOKGWSA-N
InChIKey: SAVRWHQEMHIAEB-VOTSOKGWBR
SMILES: CCC/C=C/COC(=O)CC(C)C
| |
| CAS Number: | 68698-59-9 |
| ECHA EC Number: | 272-088-0 |
| FDA UNII: | 8J63B79Z9Z |
| MDL: | MFCD00036544 |
| FEMA Number: | 3930 |
| XlogP3-AA: | 3.20 (est) |
| Molecular Weight: | 184.27880000 |
| Formula: | C11 H20 O2 |
| NMR Predictor: | Predict |
| Category: | flavor and fragrance 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 |
| JECFA Food Flavoring: | 1377 trans-2-hexenyl isovalerate |
| Flavis Number: | 09.399 (Old) |
| FEMA Number: | 3930 trans-2-hexenyl isovalerate |
| FDA Mainterm: | (E)-2-HEXENYL ISOVALERATE |
Physical Properties:
| Appearance: | colorless clear liquid (est) |
| Assay: | 95.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.87500 to 0.88500 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 7.281 to 7.364 |
| Refractive Index: | 1.42500 to 1.43500 @ 20.00 °C. |
| Boiling Point: | 105.00 °C. @ 20.00 mm Hg |
| Vapor Pressure: | 0.062000 mm/Hg @ 25.00 °C. (est) |
| Flash Point: | 180.00 °F. TCC ( 82.22 °C. ) |
| logP (o/w): | 3.990 (est) |
Organoleptic Properties:
| Odor Type: | green |
| Odor Strength: | medium , recommend smelling in a 10.00 % solution or less |
| Odor Description: at 10.00 % in dipropylene glycol. | green waxy apple pear banana grape |
| Odor Description: at 1.00 %. | Green, fresh waxy apple, pear and banana-like with nuances of viney fusel grape and vegetables Mosciano, Gerard P&F 25, No. 5, 72, (2000) |
| Taste Description: at 1.00 - 5.00 ppm. | Green apple, fruity with an oily waxy nuance and a lingering fruity aftertaste Mosciano, Gerard P&F 25, No. 5, 72, (2000) |
Cosmetic Information:
| CosIng: | cosmetic data |
| Cosmetic Uses: |
perfuming agents |
Suppliers:
| Bedoukian Research |
| trans-2-HEXEN-1-YL ISOVALERATE |
| Parchem |
| (E)-2-hexen-1-yl isovalerate |
| Penta International |
| trans-2-HEXENYL ISOVALERATE, Kosher |
Safety Information:
| 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. | |||
| 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 Mosciano, Gerard P&F 25, No. 5, 72, (2000) | |||
| Dermal Toxicity: | |||
|
skin-rabbit LD50 > 5000 mg/kg Mosciano, Gerard P&F 25, No. 5, 72, (2000) | |||
| Inhalation Toxicity: | |||
| Not determined | |||
Safety in Use Information:
| Category: | flavor and fragrance agents | ||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | ND (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 4.00 (μg/capita/day) | ||
| Structure Class: | I | ||
| Recommendation for (E)-2-hexen-1-yl isovalerate usage levels up to: | |||
| 5.0000 % in the fragrance concentrate. | |||
| Recommendation for (E)-2-hexen-1-yl isovalerate flavor usage levels up to: | |||
| 5.0000 ppm in the finished product. | |||
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): | |
| EFSA Panel on Food Contact Materials, Enzymes, Flavourings and Processing Aids (CEF) page or pdf | |
| EPI System: | View |
| Chemicalize.org: | Calculate predicted properties |
| EPA Substance Registry Services (TSCA): | 68698-59-9 |
| EPA ACToR: | Toxicology Data |
| National Institute of Allergy and Infectious Diseases: | Data |
| WGK Germany: | 2 |
| [(E)-hex-2-enyl] 3-methylbutanoate | |
| Chemidplus: | 0068698599 |
References:
| [(E)-hex-2-enyl] 3-methylbutanoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 68698-59-9 |
| Pubchem (cid): | 5352460 |
| Pubchem (sid): | 135067449 |
Other Information:
| (IUPAC): | Atomic Weights of the Elements 2009 |
| (IUPAC): | Atomic Weights of the Elements 2009 (pdf) |
| Videos: | The Periodic Table of Videos |
| tgsc: | Atomic Weights use for this web site |
| (IUPAC): | Periodic Table of the Elements |
| FDA Everything Added to Food in the United States (EAFUS): | View |
| Export Tariff Code: | 2915.60.0000 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Potential Blenders and core components note
Potential Uses:
| apple | FR | |
| banana | FR | |
| berry | FR | |
| blueberry | FR | |
| butter | FR | |
| fruit | FR | |
| grape | FR | |
| guava | FR | |
| kiwi | FR | |
| pear | FR | |
| plum | FR | |
| strawberry | FR | |
| tropical | FL | |
| wine | FR |
Natural Occurrence in: note
| lettuce lamb's | |
| mint oils | |
| pepper tabasco pepper |
Synonyms:
| butanoic acid, 3-methyl-, (2E)-2-hexen-1-yl ester | |||
| butanoic acid, 3-methyl-, (2E)-2-hexenyl ester | |||
| butanoic acid, 3-methyl-, 2-hexenyl ester, (E)- | |||
| butyric acid, 3-methyl-, trans-hex-2-en-1-yl ester | |||
| (2E)- | hex-2-en-1-yl 3-methylbutanoate | ||
| (E)- | hex-2-enyl 3-methyl butanoate | ||
| (E)- | hex-2-enyl isovalerate | ||
| [(E)- | hex-2-enyl] 3-methylbutanoate | ||
| (E)-2- | hexen-1-yl 3-methyl butanoate | ||
| (E)-2- | hexen-1-yl isopentanoate | ||
| (E)-2- | hexen-1-yl isovalerate | ||
| trans-2- | hexen-1-yl isovalerate | ||
| (E)-2- | hexen-1-yl-3-methyl butanoate | ||
| (2E)-2- | hexenyl 3-methylbutanoate | ||
| (2E)- | hexenyl isovalerate | ||
| (E)-2- | hexenyl isovalerate | ||
| trans-2- | hexenyl isovalerate | ||
| trans-2- | hexenyl isovalerate (natural) | ||
| 3- | methyl butanoic acid (2E)-2-hexen-1-yl ester | ||
| (E)-3- | methyl butanoic acid 2-hexen-1-yl ester |
