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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 |
| Molar Refractivity : | 37.73 ± 0.3 cm3 (est) |
| Parachor : | 312.4 ± 4.0 cm3 (est) |
| Index of Refraction : | 1.511 ± 0.02 (est) |
| Surface Tension : | 37.8 ± 3.0 dyne/cm (est) |
| Density : | 1.081 ± 0.06 g/cm3 (est) |
| Polarizability : | 14.95 ± 0.5 10-24cm3 (est) |
| XlogP : | 1.70 (est) |
| XlogP3-AA : | 1.60 (est) |
| Molecular Weight : | 136.1479200 (IUPAC) (PT) (112) |
| Formula : | C8 H8 O2 |
| Pherobase Floral: | view |
| NMR Predictor : | Predict |
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| Category : | flavor and fragrance agents |
EU / EUROPA / FDA / JECFA Information :
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| JECFA Food Flavoring : | Benzyl formate.
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| Fl@vouring Number : | 09.077
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| FDA Mainterm : | BENZYL FORMATE. |
| FDA Regulation. : | FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION Subpart F--Flavoring Agents and Related Substances Sec. 172.515 Synthetic flavoring substances and adjuvants.
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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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| SAFC Global® : | 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: Strong, floral, jasmine-like, black tea, fruity, blackberry |
Organoleptics :
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| Odor Type : | floral |
| Odor Strength : | medium |
Odor Description: at 100.00 %. | floral fruity spicy almond cranberry black tea Luebke, William tgsc, (1988) |
| Odor sample from : | Harrmann & Reimer Corporation |
Odor Description:
| Chemical with a cherry fruity almond nuance Mosciano, Gerard P&F 17, No. 3, 57, (1992) |
Taste Description: at 10.00 ppm. | Fresh cherry, with a berry strawberry fruity nuance Mosciano, Gerard P&F 17, No. 3, 57, (1992) |
| Substantivity : | 8 Hour(s) |
Properties :
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| Appearence : | colorless to pale yellow clear liquid |
| Food Chemicals Codex Listed : | Yes |
| Specific Gravity : | 1.08400 to 1.09200 @ 25.00 °C.
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| Pounds per Gallon - est. : | 9.020 to 9.087
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| Refractive Index : | 1.50900 to 1.51400 @ 20.00 °C.
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| Flash Ppoint : | 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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| Category : | flavor and fragrance agents |
| 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 fragrance usage levels up to : |
| | 1.0000 % in the fragrance concentrate.
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| Recommendation for benzyl formate flavor 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 |
| BioActivity Analysis : | 73763 |
| (EINECS) Number : | 203-214-4 |
| RTECS : | LQ5400000 for cas# 104-57-4 |
| Chemidplus : | 000104574 |
| EPA Substance Registry Services : | 104-57-4 |
| dtp/nci : | 8049 |
References :
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| | benzyl formate |
| NIST Chemistry WebBook : | 3838374489 |
| Pubchem : | 150799 |
Cosmetics :
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| Cosmetic Uses : |
perfuming agents
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Other :
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| Export Tariff Code : | 2915.13.0000 |
| CosIng : | cosmetic data |
| VCF-Online: | VCF Volatile Compounds in Food |
| RIFM : | listed |
| FMA : | listed |
| FDA Everything Added to Food in the United States (EAFUS) | View |