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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): 149 trans-2-HEXENYL SALICYLATE MSDS
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| [(E)-hex-2-enyl] 2-hydroxybenzoate (Click)
IUPAC Name: [(E)-hex-2-enyl] 2-hydroxybenzoate
Std.InChI: InChI=1S/C13H16O3/c1-2-3-4-7-10-16-13(15)11-8-5-6-9-12(11)14/h4-9,14H,2-3,10H2,1H3/b7-4+
InChI: InChI=1/C13H16O3/c1-2-3-4-7-10-16-13(15)11-8-5-6-9-12(11)14/h4-9,14H,2-3,10H2,1H3/b7-4+
Std.InChIKey: DLWPCXLFHSLSMZ-QPJJXVBHSA-N
InChIKey: DLWPCXLFHSLSMZ-QPJJXVBHBO
SMILES: CCC/C=C/COC(=O)C1=CC=CC=C1O
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| CAS Number: | 68133-77-7 |
| ECHA EC Number: | 268-704-2 |
| XlogP3: | 3.50 (est) |
| Molecular Weight: | 220.26812000 |
| Formula: | C13 H16 O3 |
| NMR Predictor: | Predict |
| Category: | 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 |
| PubMed: | Search |
| NCBI: | Search |
Physical Properties:
| Appearance: | colorless clear liquid (est) |
| Assay: | 90.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 1.05000 to 1.07000 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 8.737 to 8.903 |
| Refractive Index: | 1.51000 to 1.53000 @ 20.00 °C. |
| Boiling Point: | 115.00 °C. @ 1.00 mm Hg |
| Vapor Pressure: | 0.000152 mm/Hg @ 25.00 °C. (est) |
| Flash Point: | 230.00 °F. TCC ( 110.00 °C. ) |
| logP (o/w): | 4.817 (est) |
Organoleptic Properties:
| Odor Type: | green |
| Odor Strength: | medium |
| Odor Description: at 100.00 %. | green woody floral |
Cosmetic Information:
| CosIng: | cosmetic data |
| Cosmetic Uses: |
perfuming agents |
Suppliers:
| Bedoukian Research |
| trans-2-HEXENYL SALICYLATE |
| Citrus and Allied Essences |
| trans-2-Hexenyl Salicylate |
| Market Report |
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 4430 mg/kg | |||
| Dermal Toxicity: | |||
|
skin-rabbit LD50 > 5000 mg/kg | |||
| Inhalation Toxicity: | |||
| Not determined | |||
Safety in Use Information:
| Category: | fragrance agents | ||
| maximum skin levels for fine fragrances: | |||
| 0.1700 % and are based on the assumption that the fragrance mixture is used at 20% in a consumer product (IFRA Use Level Survey). (IFRA, 2002) | |||
| Recommendation for (E)-2-hexen-1-yl salicylate usage levels up to: | |||
| 8.0000 % in the fragrance concentrate. | |||
| use level in formulae for use in cosmetics: | |||
| 3.7500 % | |||
| Dermal Systemic Exposure in Cosmetic Products: | |||
| Recommendation for (E)-2-hexen-1-yl salicylate flavor usage levels up to: | |||
| not for flavor use. | |||
Safety References:
| EPI System: | View |
| Chemicalize.org: | Calculate predicted properties |
| EPA Substance Registry Services (TSCA): | 68133-77-7 |
| EPA ACToR: | Toxicology Data |
| National Institute of Allergy and Infectious Diseases: | Data |
| WGK Germany: | 2 |
| [(E)-hex-2-enyl] 2-hydroxybenzoate | |
| Chemidplus: | 0068133777 |
References:
| [(E)-hex-2-enyl] 2-hydroxybenzoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 68133-77-7 |
| Pubchem (cid): | 6437473 |
| Pubchem (sid): | 135065867 |
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: | 2918.23.0000 |
| ChemSpider: | View |
Potential Blenders and core components note
Potential Uses:
| floral | FR | |
| fresh & clean | FR | |
| green | FR | |
| natural | ||
| woody | FR |
Natural Occurrence in: note
| not found in nature |
Synonyms:
| benzoic acid, 2-hydroxy-, (2E)-2-hexen-1-yl ester | |||
| benzoic acid, 2-hydroxy-, (2E)-2-hexenyl ester | |||
| benzoic acid, 2-hydroxy-, 2-hexenyl ester, (E)- | |||
| (2E)- | hex-2-en-1-yl salicylate | ||
| [(E)- | hex-2-enyl] 2-hydroxybenzoate | ||
| (E)-2- | hexen-1-yl 2-hydroxybenzoate | ||
| (E)-2- | hexen-1-yl salicylate | ||
| trans-2- | hexen-1-yl salicylate | ||
| (E)-2- | hexenyl salicylate | ||
| trans-2- | hexenyl salicylate | ||
| 2- | hydroxybenzoic acid (2E)-2-hexen-1-yl ester |
click on the picture(s) below to interact with the 3D model | |
| |
| Similar Items: note | |
| allyl salicylate | |
| amyl salicylate | |
| isoamyl salicylate | |
| benzyl salicylate | |
| bornyl salicylate | |
| butyl salicylate | |
| isobutyl salicylate | |
| cinnamyl salicylate | |
| ortho-cresyl salicylate | |
| para-cresyl salicylate | |
| cyclohexyl salicylate | |
| decyl salicylate | |
| 2-ethyl hexyl salicylate | |
| ethyl salicylate | |
| heptyl salicylate | |
| (Z)-3-hexen-1-yl salicylate | |
| hexyl salicylate | |
| menthyl salicylate | |
| homomenthyl salicylate | |
| 2-methyl butyl salicylate | |
| methyl salicylate | |
| octyl salicylate | |
| phenethyl salicylate | |
| 3-phenyl propyl salicylate | |
| phenyl salicylate | |
| prenyl salicylate | |
| propyl salicylate | |
| isopropyl salicylate | |
| Soluble in: | |
| alcohol | |
| water, 9.518 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |