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| IUPAC name : | benzyl 3-phenylprop-2-enoate |
| InChI : | InChI=1/C16H14O2/c17-16(12-11-14-7-3-1-4-8-14)18-13-15-9-5-2-6-10-15/h1-12H,13H2 |
| InChIKey : | NGHOLYJTSCBCGC-UHFFFAOYAN |
| SMILES : | C1=CC=C(C=C1)COC(=O)C=CC2=CC=CC=C2 |
| cas number : | 103-41-3 |
| (EINECS) number : | 203-109-3 |
| beilstein number : | 2051339 |
| fema number : | 2142 |
| coe number : | 331 |
| jecfa number : | 670 |
| fl. number : | 09.738 |
| molar refractivity : | 73.03 ± 0.3 cm3 |
| parachor : | 546.8 ± 4.0 cm3 |
| index of refraction : | 1.608 ± 0.02 |
| surface tension : | 45.0 ± 3.0 dyne/cm |
| density : | 1.128 ± 0.06 g/cm3 |
| polarizability : | 28.95 ± 0.5 10-24cm3 |
| XlogP : | 3.90 |
| XlogP3 : | 3.80 |
| molecular weight : | 238.2811600 (IUPAC) |
| formula : | C16 H14 O2 |
| NMR Predictor : | Predict |
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| IUPAC name : | benzyl (E)-3-phenylprop-2-enoate |
| InChI : | InChI=1/C16H14O2/c17-16(12-11-14-7-3-1-4-8-14)18-13-15-9-5-2-6-10-15/h1-12H,13H2/b12-11+ |
| InChIKey : | NGHOLYJTSCBCGC-VAWYXSNFBS |
| SMILES : | C1=CC=C(C=C1)COC(=O)\C=C\C2=CC=CC=C2 |
| cas number : | 103-41-3 (E) |
| molar refractivity : | 73.03 ± 0.3 cm3 |
| parachor : | 546.8 ± 4.0 cm3 |
| index of refraction : | 1.608 ± 0.02 |
| surface tension : | 45.0 ± 3.0 dyne/cm |
| density : | 1.128 ± 0.06 g/cm3 |
| polarizability : | 28.95 ± 0.5 10-24cm3 |
| XlogP : | 3.90 |
| XlogP3 : | 3.80 |
| molecular weight : | 238.2811600 (IUPAC) |
| formula : | C16 H14 O2 |
| NMR Predictor : | Predict |
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| IUPAC name : | phenylmethyl (Z)-3-phenylprop-2-enoate |
| InChI : | InChI=1/C16H14O2/c17-16(12-11-14-7-3-1-4-8-14)18-13-15-9-5-2-6-10-15/h1-12H,13H2/b12-11- |
| InChIKey : | NGHOLYJTSCBCGC-QXMHVHEDBT |
| SMILES : | O=C(OCc1ccccc1)/C=C\c2ccccc2 |
| cas number : | 103-41-3 (Z) |
| molar refractivity : | 73.03 ± 0.3 cm3 |
| parachor : | 546.8 ± 4.0 cm3 |
| index of refraction : | 1.608 ± 0.02 |
| surface tension : | 45.0 ± 3.0 dyne/cm |
| density : | 1.128 ± 0.06 g/cm3 |
| polarizability : | 28.95 ± 0.5 10-24cm3 |
| XlogP : | 3.90 |
| XlogP3 : | 3.80 |
| molecular weight : | 238.2811600 (IUPAC) |
| formula : | C16 H14 O2 |
| NMR Predictor : | Predict |
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| export tariff code : | 2916.12.6000 |
| fda reg : | 172.515 |
Suppliers :
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| Apple : | Benzyl cinnamate
|
| Cargill : | BENZYL CINNAMATE
natural, Kosher Odor: Sweet, Balsamic |
| Fleurchem : | benzyl cinnamate
natural |
| Hofmen : | Benzyl cinnamate
99%, (naturals) |
| Inoue : | BENZYL CINNAMATE
|
| John D. Walsh : | Benzyl Cinnamate
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| Moellhausen : | benzyl cinnamate
98.5% min. nature identical kosher Odor: balsamic, floreal, spicy. Flavor: sweet, honey, coumarin. |
| Penta : | benzyl cinnamate
FCC |
| SAFC Global® : | Benzyl cinnamate
≥98%, Kosher Odor: apricot; cherry; chocolate; floral; peach; pineapple |
| Symrise : | Benzyl cinnamate
Odor: very weakly, sweet, balsamic Flavor: sweet, floral, coumarin, balsamic, honey. |
| Vigon : | Benzyl Cinnamate
Odor: Very weakly, sweet, balsamic |
organoleptics :
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| odor type : | balsamic |
| odor strength : | low |
odor description: at 100.00 %. | sweet balsam floral fruity cherry Luebke, William tgsc, (1983) |
| odor sample from : | Givaudan Corporation |
odor description:
| Sweet, spicy, floral, with a powdey balsamic nuance Mosciano, Gerard P&F 17, No. 1, 41, (1992) |
taste description: at 50.00 ppm. | Spicy, floral, fruity, balsamic Mosciano, Gerard P&F 17, No. 1, 41, (1992) |
| substantivity : | 243 hour(s) at 100.00 % |
properties :
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| appearence : | white to pale yellow solid |
| assay : | 98.00 to 100.00 % sum of isomers
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| heavey metals : | 40 PPM MAX |
| Food Chemicals Codex Listed : | Yes |
| melting point : | 37.00 to 39.00 °C. @ 760.00 mm Hg
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| boiling point : | 195.00 to 200.00 °C. @ 5.00 mm Hg
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| boiling point : | 228.00 to 230.00 °C. @ 22.00 mm Hg
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| congealing point : | 34.50 °C.
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| acid value : | 1.00 max. KOH/g
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| flash point : | > 230.00 °F. TCC ( > 110.00 °C. )
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| logP (o/w) : | 4.06 |
| shelf life : | 24.00 month(s) or longer if stored properly. |
| storage : | store in cool, dry place in tightly sealed containers, protected from heat and light. |
safety :
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| most important hazard(s) : | Xi N - Irritant, Dangerous for the environment. |
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R 36/38 - Irritating to skin and eyes. R 43 - May cause sensitisation by skin contact. R 51/53 - Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. S 02 - Keep out of the reach of children. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36 - Wear suitable protective clothing. S 61 - Avoid release to the environment. Refer to special instructions/safety data sheet.
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| Human experience : | 8 % solution: no irritation or sensitization. |
| Oral Toxicity(LD50) : | |
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Gavage-Rat [sex: M,F] 3280.00 mg/kg (Wolven & Levenstein, 1972)
Oral-Rat 5530.00 mg/kg Jenner et al. (1964)
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| Dermal Toxicity(LD50) : | |
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Skin-Rabbit >3000.00 mg/kg
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| Inhalation Toxicity(LC50) : | |
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Not determined
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safety in use :
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| Category : | flavor and fragrance agents |
| Maximised Survey-derived Daily Intakes (MSDI-EU) : | 38.00 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) : | 69.00 (μg/capita/day) |
| Structure Class : | I |
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| IFRA critical Effect : | Sensitization |
| Fragrance usage is IFRA RESTRICTED to : |
| Please review all IFRA documents for complete information. (QRA) |
| IFRA categories : limits in the finished product: (For a description of the categories, refer to the IFRA QRA Information Booklet.)
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Category 1 : See Note (1) | 0.10 % (1) | Category 2 : | 0.20 % |
| Category 3 : | 0.70 % | Category 4 : | 2.10 % |
| Category 5 : | 1.10 % | Category 6 : See Note (1) | 3.40 % (1) |
| Category 7 : | 0.40 % | Category 8 : | 2.00 % |
| Category 9 : | 5.00 % | Category 10 : | 2.50 % |
| Category 11 : | See Note (2) |
| | Notes : |
| | (1) IFRA would recommend that any material used to impart perfume or flavour in products intended for human ingestion should consist of ingredients that are in compliance with appropriate regulations for foods and food flavourings in the countries of planned distribution and, where these are lacking, with the recommendations laid down in the Code of Practice of IOFI (International Organisation of the Flavor Industry). Further information about IOFI can be found on its website (www.iofi.org). |
| | (2) Category 11 includes all non-skin contact or incidental skin contact products. Due to the negligible skin contact from these types of products there is no justification for a restriction of the concentration of this fragrance ingredient in the finished product. |
| use level in formulae for use in cosmetics : |
| | 0.0854 %
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| dermal systemic exposure in cosmetic products : |
| | 0.0022 mg/kg/day (IFRA, 2001)
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| recommendation for benzyl cinnamate flavor usage levels up to : |
| | 120.0000 ppm in the flavor.
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safety references :
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| European Food Safety Athority(efsa) : | Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies... |
| msds : | msds |
| EPI System : | view |
| NLM Hazardous Substances Data Bank : | search |
| IFRA : | IFRA - ( Found under : Benzyl cinnamate ) |
| Env. Mutagen Info. Center : | Search |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
| SCCNFP : | opinion |
| WISER : | UN 3077 |
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| WGK Germany : | 2 |
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| | benzyl 3-phenylprop-2-enoate |
| (EINECS) number : | 203-109-3 |
| RTECS : | GD8400000 for cas# 103-41-3 |
| chemidplus : | 103-41-3 |
| EPA Substance Registry Services : | 103-41-3 |
| dtp/nci : | 11780 |
| | benzyl (E)-3-phenylprop-2-enoate |
| | phenylmethyl (Z)-3-phenylprop-2-enoate |
references :
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| | benzyl 3-phenylprop-2-enoate |
| fl. number : | 09.738 |
| jecfa number : | 670 |
| pubchem : | 76633 |
| | benzyl (E)-3-phenylprop-2-enoate |
| NIST Chemistry WebBook : | 1930632504 |
| pubchem : | 150734 |
| | phenylmethyl (Z)-3-phenylprop-2-enoate |
Cosmetics :
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| Cosmetic uses : |
perfuming agents
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other :
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| CosIng : | cosmetic data |
| VCF-Online: | VCF Volatile Compounds in Food |
| | C of A |
| RIFM : | listed |
| FMA : | listed |
| FDA Everything Added to Food in the United States (EAFUS) | View |