Articles:
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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 Products List: View Product(s): 147 trans-2-HEXENYL PHENYL ACETATE
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| [(E)-hex-2-enyl] 2-phenylacetate (Click)
IUPAC Name: [(E)-hex-2-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/h4-10H,2-3,11-12H2,1H3/b8-4+
InChI: InChI=1/C14H18O2/c1-2-3-4-8-11-16-14(15)12-13-9-6-5-7-10-13/h4-10H,2-3,11-12H2,1H3/b8-4+
Std.InChIKey: BYGAPGDXGHDYGP-XBXARRHUSA-N
InChIKey: BYGAPGDXGHDYGP-XBXARRHUBL
SMILES: CCC/C=C/COC(=O)CC1=CC=CC=C1
| |
| CAS Number: | 68133-78-8 |
| ECHA EC Number: | 268-705-8 |
| MDL: | MFCD00036543 |
| XlogP3-AA: | 3.60 (est) |
| Molecular Weight: | 218.29586000 |
| Formula: | C14 H18 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 |
| Flavis Number: | 09.400 (Old) |
| EU SANCO Food Flavourings: | 09.400 (E)-hex-2-enyl phenylacetate |
Physical Properties:
| Appearance: | colorless clear liquid (est) |
| Assay: | 95.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.98300 to 0.99300 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 8.180 to 8.263 |
| Refractive Index: | 1.49700 to 1.50400 @ 20.00 °C. |
| Melting Point: | 37.00 °C. @ 760.00 mm Hg |
| Boiling Point: | 97.00 °C. @ 1.00 mm Hg |
| Boiling Point: | 336.00 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 0.001000 mm/Hg @ 25.00 °C. (est) |
| Vapor Density: | >1 ( Air = 1 ) |
| Flash Point: | 230.00 °F. TCC ( 110.00 °C. ) |
| logP (o/w): | 4.391 (est) |
Organoleptic Properties:
| Odor Type: | green |
| Odor Strength: | medium |
| Odor Description: at 100.00 %. | green mossy rum honey |
Cosmetic Information:
| CosIng: | cosmetic data |
| Cosmetic Uses: |
perfuming agents |
Suppliers:
| Bedoukian Research |
| trans-2-HEXENYL PHENYL ACETATE |
| TCI AMERICA |
| trans-2-Hexen-1-yl Phenylacetate |
| For experimental / research use only. |
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. 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 | |||
| Dermal Toxicity: | |||
|
skin-rabbit LD50 > 5000 mg/kg | |||
| Inhalation Toxicity: | |||
| Not determined | |||
Safety in Use Information:
| Category: | flavor and fragrance agents | ||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.012 (μg/capita/day) | ||
| Structure Class: | I | ||
| Recommendation for (E)-2-hexen-1-yl phenyl acetate usage levels up to: | |||
| 4.0000 % in the fragrance concentrate. | |||
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): | 68133-78-8 |
| EPA ACToR: | Toxicology Data |
| National Institute of Allergy and Infectious Diseases: | Data |
| WGK Germany: | 2 |
| [(E)-hex-2-enyl] 2-phenylacetate | |
| Chemidplus: | 0068133788 |
References:
| [(E)-hex-2-enyl] 2-phenylacetate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 68133-78-8 |
| Pubchem (cid): | 5368236 |
| Pubchem (sid): | 135065868 |
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 |
| Export Tariff Code: | 2916.35.1500 |
| ChemSpider: | View |
Potential Blenders and core components note
Potential Uses:
| freesia | FR | |
| green | FR | |
| honey miel | FR | |
| neroli | FR | |
| oakmoss mousse de chene moss | FR | |
| orange blossom | FR | |
| orchid | FR | |
| saffron | FR |
Natural Occurrence in: note
| not found in nature |
Synonyms:
| benzeneacetic acid, (2E)-2-hexen-1-yl ester | |||
| benzeneacetic acid, (2E)-2-hexenyl ester | |||
| benzeneacetic acid, 2-hexenyl ester, (E)- | |||
| (2E)- | hex-2-en-1-yl phenylacetate | ||
| (E)- | hex-2-enyl phenyl acetate | ||
| (E)- | hex-2-enyl phenylacetate | ||
| [(E)- | hex-2-enyl] 2-phenylacetate | ||
| (E)-2- | hexen-1-yl phenyl acetate | ||
| trans-2- | hexen-1-yl phenyl acetate | ||
| trans-2- | hexen-1-yl phenylacetate | ||
| (E)-2- | hexenyl phenyl acetate | ||
| trans-2- | hexenyl phenyl acetate | ||
| (E)-2- | hexenyl phenylacetate | ||
| trans-2- | hexenyl phenylacetate | ||
| phenylacetic acid trans-2-hexen-1-yl ester |
