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3-hexenyl phenylacetate
Notes:
Boosting effect in mint. Flavouring ingredient. Present in Mentha spp.
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Apiscent Labs, LLC Delivery of Quality Custom manufacturer and international supplier of fine ingredients. We believe inspired chemistry enriches lives. That's why our team is guided by a mission to provide fine ingredients to the worldwide pharmaceutical, flavor and fragrance markets with a primary focus on the manufacturing of value-added, research-based molecules. We're innovative problem solvers committed to excellence at every phase. Our work builds the foundation for our clients' continued success. Email: Info Email: Carl Sheeley Email: Customer Service Voice: +1 (414) 744 3993 Fax: +1 (414) 744 7111 News Product(s): C3 HEXENYL PHENYL ACETATE
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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 News Products List: View Product(s): 112 cis-3-HEXENYL PHENYLACETATE ≥98.0% (cis), Kosher SDS Has a boosting effect in mint fragrances. Also used for subtle honey and rose notes
Finds use in honey, pear, cabbage and onion flavors.
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CTC Organics For More Than 40 Year Your source for rare aroma chemicals for the flavor and fragrance industy. “The world is run by middle men.” The number of times I have heard Dr. Liu utter those words are innumerable. He loved reciting and recording famous quotes and had many of his own. Among his many talents, Dr. Liu had a unique genius in the area of chemistry. He had an uncanny understanding of the pulse of the chemical industry and was a superb salesman. US Email: Customer Service US Voice: (404) 524-6744 US Fax: (404) 577-1651 Resources History Product(s): W01754 3-hexenyl phenylacetate
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FCI SAS Inspired by Nature At FCI customer service is not a department it’s an attitude. Our team is composed of motivated professionals with great experience in the flavours and fragrances market. Our company has been serving this industry for more than 40 years and is ISO 9001 certified since 2009 . Whatever your question on flavour and fragrance ingredients: commercial, technical or regulatory – we will answer it very quickly. Email: Info Email: Philippe Faucher Voice: +33 (0)1 34 25 58 10 Fax: + 33 1 34 25 58 18 News Product(s): 12237 CIS-3-HEXENYL PHENYL ACETATE
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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): 08-35000 cis-3-HEXENYL PHENYLACETATE, Kosher
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Sigma-Aldrich Complete Supply Chain The perfect blend of products and services that bring your creativity to life. Sigma-Aldrich is a leading Life Science and High Technology company dedicated to providing high-quality, safe and certified flavor ingredients with transparent and easily accessible documentation to customers around the globe. Sigma-Aldrich also provides a suite of analytical tools that allow food analysts to simplify sample preparation, cleanup and analysis steps, while increasing sensitivity to trace ingredients and harmful substances to meet regulations and quality standards. Email: Information US Email: Sales US Voice: 800-244-1173 US Fax: 800-368-4661 Facebook Twitter Instagram Linkedin Certified Food Grade Products Product(s): W363308 cis-3-Hexenyl phenylacetate, ≥98%, stabilized, FG SDS
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TCI AMERICA Moving Your Chemistry Forward We continuously strive to advance our technology. Tokyo Chemical Industry Co., Ltd. (TCI) is a leading worldwide manufacturer of specialty organic chemicals founded in 1946. TCI provides organic laboratory chemicals as well as pharmaceutical, cosmetic and functional materials. More than 60 years of synthesis experience and multi-purpose plants enable TCI to offer more than 27,000 products as well as custom synthesis. TCI established overseas facilities in North America, Europe, China and India to serve customers worldwide. Email: Sales US Email: Sales Email: Global Business Voice: +81-3-5640-8878 Fax: +81-3-5640-8902 US Voice: 800-423-8616 US Fax: 888-520-1075 Tokyo Tel: 03-5640-8851 Tokyo Fax: 03-5640-8865 Facebook Twitter Instagram Linkedin RSS Product(s): P1044 cis-3-Hexen-1-yl Phenylacetate >95.0%(GC)
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| [(Z)-hex-3-enyl] 2-phenylacetate (Click)
IUPAC Name: [(Z)-hex-3-enyl] 2-phenylacetate
Std.InChI: InChI=1S/C14H18O2/c1-2-3-4-8-11-16-14(15)12-13-9-6-5-7-10-13/h3-7,9-10H,2,8,11-12H2,1H3/b4-3-
InChI: InChI=1/C14H18O2/c1-2-3-4-8-11-16-14(15)12-13-9-6-5-7-10-13/h3-7,9-10H,2,8,11-12H2,1H3/b4-3-
Std.InChIKey: FJKFIIYSBXHBCT-ARJAWSKDSA-N
InChIKey: FJKFIIYSBXHBCT-ARJAWSKDBH
SMILES: CC/C=C\CCOC(=O)CC1=CC=CC=C1
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| CAS Number: | 42436-07-7 | 
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| % from: | 98.00% to 99.90% | |
| ECHA EINECS - REACH Pre-Reg: | 255-826-6 | |
| FDA UNII: | 8XZ0MZ4575 | |
| Nikkaji Web: | J73.248F | |
| Beilstein Number: | 3266406 | |
| MDL: | MFCD00036531 | |
| CoE Number: | 10682 | |
| XlogP3: | 3.70 (est) | |
| Molecular Weight: | 218.29586000 | |
| Formula: | C14 H18 O2 | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
| Also(can) Contains: | (E)-3-hexen-1-yl phenyl acetate | |
| EFSA/JECFA Comments: | According to JECFA: Min. assay value is "97 %" and "predominantly (>90 %) cis-isomer". | |
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: | 1016 3-hexenyl phenylacetate |
| Flavis Number: | 09.805 (Old) |
| DG SANTE Food Flavourings: | 09.805 3-hexenyl phenylacetate |
| FEMA Number: | 3633 3-hexenyl phenylacetate |
| FDA Mainterm: | 3-HEXENYL PHENYLACETATE |
| FDA Regulation: | |
| FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION Subpart F--Flavoring Agents and Related Substances Sec. 172.515 Synthetic flavoring substances and adjuvants. | |
Physical Properties:
Organoleptic Properties:
| Odor Type: | green |
| Odor Strength: | medium |
| green rose honey waxy sweet pea tropical kiwi beany | |
| Odor Description: at 100.00 %. | green rose honey waxy sweet pea tropical kiwi beany Luebke, William tgsc, (2009) |
| green floral vegetable tropical melon | |
| Odor Description: | Green, floral, vegetable, tropical and melon-like nuances Mosciano, Gerard P&F 16, No. 2, 49, (1991) |
| waxy green floral vegetable melon | |
| Taste Description: at 15.00 ppm. | Waxy, green, floral with vegetable and melon nuances Mosciano, Gerard P&F 16, No. 2, 49, (1991) |
| Substantivity: | 171 hour(s) at 100.00 % |
Cosmetic Information:
| CosIng: | cosmetic data |
| Cosmetic Uses: |
perfuming agents |
Suppliers:
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 (Moreno, 1976n) oral-rat LD50 > 5000 mg/kg Food and Cosmetics Toxicology. Vol. 17, Pg. 803, 1979. | |
| Dermal Toxicity: | |
|
skin-rabbit LD50 > 5000 mg/kg Food and Cosmetics Toxicology. Vol. 17, Pg. 803, 1979. | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in Use Information:
| Category: | flavor and fragrance agents | ||
| Recommendation for (Z)-3-hexen-1-yl phenyl acetate usage levels up to: | |||
| 12.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.73 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 0.05 (μg/capita/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: 12 | |||
| Click here to view publication 12 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | 8.80000 | |
| beverages(nonalcoholic): | - | 7.80000 | |
| beverages(alcoholic): | - | 5.00000 | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 7.80000 | |
| fruit ices: | - | - | |
| gelatins / puddings: | - | 8.80000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | - | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | - | |
| meat products: | - | - | |
| milk products: | - | - | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | - | - | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | - | - | |
| snack foods: | - | - | |
| soft candy: | - | 8.80000 | |
| soups: | - | - | |
| sugar substitutes: | - | - | |
| sweet sauces: | - | - | |
Safety References:
| Flavor & Extract Manufacturers Association (FEMA) reference(s): | |
| The FEMA GRAS assessment of phenethyl alcohol, aldehydes, acids, and related acetals and esters used as flavor ingredients. View pdf | |
| 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 14 (FGE.14): Phenethyl alcohol, aldehyde, esters, and related phenylacetic acid esters from chemical group 15 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) View page or View pdf | |
| Flavouring Group Evaluation 53 (FGE.53): Consideration of phenethyl alcohol, aldehyde, acid and related acetals and esters evaluated by JECFA (59th meeting) structurally related to phenethyl alcohol, aldehyde, esters and related phenylacetic acid esters evaluated by EFSA in FGE.14 (2005) and one phenoxyethyl ester evaluated in FGE.23 (2006) (Commission Regulation (EC) No 1565/2000 of 18 July 2000) - 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 14, Revision 1 (FGE.14Rev1): Phenethyl alcohol, aldehyde, acetals, carboxylic acid and related esters from chemical group 15 and 22 [1] - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food View page or View pdf | |
| Flavouring Group Evaluation 53, Revision 1 (FGE.53Rev1): Consideration of phenethyl alcohol, aldehyde, acid and related acetals and esters evaluated by JECFA (59th meeting) FGE.23Rev1 (2008) View page or View pdf | |
| EPI System: | View |
| EPA Substance Registry Services (TSCA): | 42436-07-7 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 5367698 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WGK Germany: | 2 |
| [(Z)-hex-3-enyl] 2-phenylacetate | |
| Chemidplus: | 0042436077 |
| RTECS: | CY1630000 for cas# 42436-07-7 |
References:
| [(Z)-hex-3-enyl] 2-phenylacetate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 42436-07-7 |
| Pubchem (cid): | 5367698 |
| Pubchem (sid): | 135021584 |
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 |
| HMDB (The Human Metabolome Database): | HMDB38281 |
| FooDB: | FDB017579 |
| Export Tariff Code: | 2916.39.7700 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Potential Blenders and core components note
Potential Uses:
| apple | FR | |
| cabbage | ||
| cucumber | FR | |
| floral | FR | |
| green | FR | |
| honey miel | FR | |
| honeysuckle chevrefeuille | FR | |
| melon watermelon muskmelon cantaloupe | ||
| mint | FR | |
| onion | FL | |
| pear | FR | |
| rose | FR | |
| vegetable |
Occurrence (nature, food, other): note
| cornmint oil Search Trop Picture | |
| linden flower Search Trop Picture | |
| peppermint oil Search Trop Picture | |
| spearmint oil scotch Search Trop Picture | |
| tea Search Trop Picture |
Synonyms:
| benzene acetic acid (3Z)-3-hexen-1-yl ester | |
| (Z)- | benzene acetic acid 3-hexen-1-yl ester |
| benzeneacetic acid, (3Z)-3-hexen-1-yl ester | |
| benzeneacetic acid, (3Z)-3-hexenyl ester | |
| benzeneacetic acid, 3-hexenyl ester, (Z)- | |
| (3Z)- | hex-3-en-1-yl phenylacetate |
| (Z)- | hex-3-enyl phenyl acetate |
| cis- | hex-3-enyl phenyl acetate |
| (Z)- | hex-3-enyl phenylacetate |
| [(Z)- | hex-3-enyl] 2-phenylacetate |
| 3- | hexen-1-yl alpha-toluate |
| beta,gamma- | hexen-1-yl alpha-toluate |
| (Z)-3- | hexen-1-yl benzene acetate |
| (Z)-3- | hexen-1-yl phenyl acetate |
| 3- | hexen-1-yl phenyl acetate |
| cis-3- | hexen-1-yl phenyl acetate |
| cis-3- | hexen-1-yl phenylacetate |
| 3- | hexenyl benzeneacetate, (Z)- |
| 3- | hexenyl benzeneacetate, cis- |
| (Z)-3- | hexenyl phenyl acetate |
| C3 | hexenyl phenyl acetate |
| cis-3- | hexenyl phenyl acetate |
| (Z)-3- | hexenyl phenylacetate |
| cis-3- | hexenyl phenylacetate |
| phenylacetic acid cis-3-hexen-1-yl ester |