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trans-2-hexenyl phenylacetate
Notes:
None found
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| CAS Number: | 68133-78-8 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 268-705-8 | |
| Nikkaji Web: | J208.916E | |
| MDL: | MFCD00036543 | |
| XlogP3-AA: | 3.60 (est) | |
| Molecular Weight: | 218.29586000 | |
| Formula: | C14 H18 O2 | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
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 |
| PubMed: | Search |
| NCBI: | Search |
| DG SANTE Food Flavourings: | 09.400 (E)-hex-2-enyl phenylacetate |
Physical Properties:
Organoleptic Properties:
| Odor Type: green | |
| green mossy rummy honey | |
| Odor Description: at 100.00 %. | green mossy rum honey |
| Odor and/or flavor descriptions from others (if found). | |
| Bedoukian Research | |
| trans-2-HEXENYL PHENYL ACETATE | |
| Odor Description: | Green, rummy character with sweet honey-like dry down Primarily used for persistent sweet notes in fragrances. |
Cosmetic Information:
| CosIng: | cosmetic data |
| Cosmetic Uses: |
perfuming agents |
Suppliers:
| BOC Sciences |
| For experimental / research use only. |
| Phenylacetic acid trans-2-hexen-1-yl ester |
| Santa Cruz Biotechnology |
| For experimental / research use only. |
| trans-2-Hexen-1-yl Phenylacetate |
| TCI AMERICA |
| For experimental / research use only. |
| trans-2-Hexen-1-yl Phenylacetate |
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 Primarily used for persistent sweet notes in fragrances. | |
| Dermal Toxicity: | |
|
skin-rabbit LD50 > 5000 mg/kg Primarily used for persistent sweet notes in fragrances. | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in Use Information:
| Category: | flavor and fragrance agents | ||
| IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice | |||
| Recommendation for (E)-2-hexen-1-yl phenyl acetate usage levels up to: | |||
| 4.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.01 (μg/capita/day) | ||
| Modified Theoretical Added Maximum Daily Intake (mTAMDI): | 1800 (μg/person/day) | ||
| Threshold of Concern: | 1800 (μg/person/day) | ||
| Structure Class: | I | ||
| Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i). | |||
| Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm. | |||
| average usage mg/kg | maximum usage mg/kg | ||
| Dairy products, excluding products of category 02.0 (01.0): | 4.10000 | 7.77000 | |
| Fats and oils, and fat emulsions (type water-in-oil) (02.0): | 3.30000 | 5.95000 | |
| Edible ices, including sherbet and sorbet (03.0): | 3.30000 | 5.95000 | |
| Processed fruit (04.1): | - | - | |
| Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): | 3.30000 | 5.95000 | |
| Confectionery (05.0): | 6.17000 | 9.81000 | |
| Chewing gum (05.0): | - | - | |
| Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): | 3.30000 | 5.95000 | |
| Bakery wares (07.0): | 6.80000 | 9.71000 | |
| Meat and meat products, including poultry and game (08.0): | 3.30000 | 5.95000 | |
| Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): | 3.30000 | 5.95000 | |
| Eggs and egg products (10.0): | 3.30000 | 5.95000 | |
| Sweeteners, including honey (11.0): | 3.30000 | 5.95000 | |
| Salts, spices, soups, sauces, salads, protein products, etc. (12.0): | 1.00000 | 3.00000 | |
| Foodstuffs intended for particular nutritional uses (13.0): | - | - | |
| Non-alcoholic ("soft") beverages, excl. dairy products (14.1): | 1.75000 | 2.69000 | |
| Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): | 1.32000 | 2.17000 | |
| Ready-to-eat savouries (15.0): | 3.30000 | 5.95000 | |
| Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): | 3.30000 | 5.95000 | |
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) View page or View pdf | |
| Scientific Opinion on Flavouring Group Evaluation 200, Revision 1 (FGE.200 Rev.1): 74 a,ß-unsaturated aliphatic aldehydes and precursors from chemical subgroup 1.1.1 of FGE.19 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): | 68133-78-8 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 5368236 |
| 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 2011 (pdf) |
| Videos: | The Periodic Table of Videos |
| tgsc: | Atomic Weights use for this web site |
| (IUPAC): | Periodic Table of the Elements |
| HMDB (The Human Metabolome Database): | Search |
| Export Tariff Code: | 2916.39.7700 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Potential Blenders and core components note
Potential Uses:
| freesia | FR | |
| green | FR | |
| honey | FR | |
| moss | FR | |
| neroli | FR | |
| orange blossom | FR | |
| orchid | FR | |
| saffron | FR |
Occurrence (nature, food, other): note
| mentha oils |
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 |