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| IUPAC name : | benzyl (E)-2-methylbut-2-enoate |
| InChI : | InChI=1/C12H14O2/c1-3-10(2)12(13)14-9-11-7-5-4-6-8-11/h3-8H,9H2,1-2H3/b10-3+ |
| InChIKey : | QRGSTISKDZCDHV-XCVCLJGOBP |
| SMILES : | C\C=C(/C)\C(=O)OCC1=CC=CC=C1 |
| cas number : | 37526-88-8 |
| (EINECS) number : | 253-544-8 |
| fema number : | 3330 |
| coe number : | 2184 |
| jecfa number : | 846 |
| fl. number : | 09.494 |
| molar refractivity : | 56.00 ± 0.3 cm3 |
| parachor : | 451.1 ± 4.0 cm3 |
| index of refraction : | 1.516 ± 0.02 |
| surface tension : | 35.2 ± 3.0 dyne/cm |
| density : | 1.027 ± 0.06 g/cm3 |
| polarizability : | 22.20 ± 0.5 10-24cm3 |
| XlogP : | 2.90 |
| XlogP3-AA : | 2.80 |
| molecular weight : | 190.2383600 (IUPAC) |
| formula : | C12 H14 O2 |
| NMR Predictor : | Predict |
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| export tariff code : | 2916.19.6000 |
| fda reg : | unspecified |
Suppliers :
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| Bedoukian Research : | BENZYL TIGLATE
≥97.0%, Kosher Odor: A vegetative, earthy, mushroom. |
| Inoue : | BENZYL TIGLATE
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| Penta : | benzyl tiglate
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| TCI AMERICA : | Benzyl Tiglate
>97.0%(GC) |
organoleptics :
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| odor type : | balsamic |
| odor strength : | medium |
odor description : at 100.00 %. | balsamic earthy mushroom rose undertone |
properties :
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| appearence : | colorless clear liquid |
| assay : | 95.00 to 100.00 % sum of isomers
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 1.02900 to 1.04000 @ 25.00 °C.
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| pounds per gallon - calc. : | 8.562 to 8.654
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| refractive index : | 1.51500 to 1.52600 @ 20.00 °C.
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| boiling point : | 139.00 °C. @ 9.00 mm Hg
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| boiling point : | 250.00 °C. @ 760.00 mm Hg
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| acid value : | 1.00 max. KOH/g
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| vapor pressure : | 0.00100 mm/Hg @ 20.00 °C. |
| flash point : | > 230.00 °F. TCC ( > 110.00 °C. )
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| logP (o/w) : | 3.35 |
safety :
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| most important hazard(s) : | Xi - Irritant |
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R 36/37/38 - Irritating to eyes, respiratory system, and skin. 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.
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| Human experience : | 10% in petrolatum produced no irritation in humans. |
| Oral Toxicity(LD50) : |
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Oral-Rat >5000.00 mg/kg (Moreno, 1979d)
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| Dermal Toxicity(LD50) : |
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Not determined
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| Inhalation Toxicity(LC50) : |
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Not determined
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safety in use :
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| Maximised Survey-derived Daily Intakes (MSDI-EU) : | 0.012 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) : | 0.03 (μg/capita/day) |
| Structure Class : | I |
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| recommendation for (E)-benzyl tiglate usage levels up to : |
| | 5.0000 % in the fragrance concentrate.
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| recommendation for (E)-benzyl tiglate usage levels up to : |
| | 10.0000 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... |
| EPI System : | view |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
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| WGK Germany : | 2 |
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| | benzyl (E)-2-methylbut-2-enoate
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| (EINECS) number : | 253-544-8 |
| chemidplus : | 037526888 |
| EPA Substance Registry Services : | 37526-88-8 |
| dtp/nci : | 69098 |
references :
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| | benzyl (E)-2-methylbut-2-enoate
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| fl. number : | 09.494 |
| jecfa number : | 846 |
| NIST Chemistry WebBook : | 3314233181 |
| pubchem : | 198404 |
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 |
| FDA Everything Added to Food in the United States (EAFUS) | View |