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| IUPAC name : | benzyl formate |
| InChI : | InChI=1/C8H8O2/c9-7-10-6-8-4-2-1-3-5-8/h1-5,7H,6H2 |
| InChIKey : | UYWQUFXKFGHYNT-UHFFFAOYAZ |
| SMILES : | C1=CC=C(C=C1)COC=O |
| cas number : | 104-57-4 |
| (EINECS) number : | 203-214-4 |
| beilstein number : | 2041319 |
| fema number : | 2145 |
| coe number : | 344 |
| jecfa number : | 841 |
| fl. number : | 09.077 |
| molar refractivity : | 37.73 ± 0.3 cm3 |
| parachor : | 312.4 ± 4.0 cm3 |
| index of refraction : | 1.511 ± 0.02 |
| surface tension : | 37.8 ± 3.0 dyne/cm |
| density : | 1.081 ± 0.06 g/cm3 |
| polarizability : | 14.95 ± 0.5 10-24cm3 |
| XlogP : | 1.70 |
| XlogP3-AA : | 1.60 |
| molecular weight : | 136.1479200 (IUPAC) |
| formula : | C8 H8 O2 |
| BioActivity Analysis : | 73763 |
| NMR Predictor : | Predict |
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| export tariff code : | 2915.13.0000 |
| fda reg : | 172.515 |
Suppliers :
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| Advanced Biotech : | benzyl formate
98% min. natural Odor: Floral, fruity. |
| Berje : | Benzyl Formate
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| Fleurchem : | benzyl formate
natural |
| Fontarome : | BENZYL FORMATE
Odor: Intense, pleasant, fruity |
| Inoue : | BENZYL FORMATE
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| Penta : | benzyl formate
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| Sigma-Aldrich-SAFC : | Benzyl formate
≥95%, FCC, Kosher Odor: apricot; meaty; floral; fruity; pineapple; sweet. |
| Symrise : | Benzyl formate
Odor: strong, floral, jasmine-like, black tea, fruity, blackberry. Flavor: sweet, fruity, raspberry, blueberry. |
| Ungerer : | Benzyl Formate
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| Vigon : | Benzyl Formate
FCC Odor: POWERFUL, FRUITY-SPICY |
organoleptics :
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| odor type : | floral |
| odor strength : | medium |
odor description :¹ at 100.00 %. | floral fruity spicy almond cranberry black tea |
| odor sample from : | Harrmann & Reimer Corporation |
| substantivity : | 8 Hour(s) |
properties :
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| appearence : | colorless to pale yellow clear liquid |
| assay : | 95.00 to 100.00 %
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| Food Chemicals Codex Listed : | Yes |
| specific gravity : | 1.08200 to 1.09200 @ 25.00 °C.
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| pounds per gallon - calc. : | 9.003 to 9.087
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| specific gravity : | 1.08500 to 1.09300 @ 20.00 °C.
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| pounds per gallon - calc. : | 9.039 to 9.105
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| refractive index : | 1.50800 to 1.51800 @ 20.00 °C.
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| boiling point : | 202.00 to 203.00 °C. @ 760.00 mm Hg
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| acid value : | 1.00 max. KOH/g
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| flash point : | 180.00 °F. TCC ( 82.22 °C. )
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| logP (o/w) : | 1.53 |
| 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) : | Xn - Harmful. |
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R 21/22 - Harmful in contact with skin and if swallowed. S 02 - Keep out of the reach of children. S 24 - Avoid contact with skin. S 36/39 - Wear suitable clothing and eye/face protection.
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| Human experience : | 10 % solution: no irritation or sensitization. |
| Oral Toxicity(LD50) : |
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Oral-Rat 1400.00 mg/kg Food and Cosmetics Toxicology. Vol. 11, Pg. 1019, 1973.
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| Dermal Toxicity(LD50) : |
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Skin-Rabbit 2000.00 mg/kg Food and Cosmetics Toxicology. Vol. 11, Pg. 1019, 1973.
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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) : | 35.00 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) : | 17000.00 (μg/capita/day) |
| Structure Class : | I |
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| recommendation for benzyl formate usage levels up to : |
| | 1.0000 % in the fragrance concentrate.
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| recommendation for benzyl formate usage levels up to : |
| | 15.0000 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 : | 1 |
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| | benzyl formate
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| (EINECS) number : | 203-214-4 |
| RTECS : | LQ5400000 for 104-57-4 |
| chemidplus : | 000104574 |
| EPA Substance Registry Services : | 104-57-4 |
| dtp/nci : | 8049 |
references :
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| | benzyl formate
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| fl. number : | 09.077 |
| jecfa number : | 841 |
| NIST Chemistry WebBook : | 3838374489 |
| pubchem : | 150799 |
Cosmetics :
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| Cosmetic uses : |
perfuming agents
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other :
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| reference : | Luebke, William tgsc, (1988)¹ |
| CosIng : | cosmetic data |
| VCF-Online: | VCF Volatile Compounds in Food |
| FDA Everything Added to Food in the United States (EAFUS) | View |