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| IUPAC Name - | [(6R)-1,7,7-trimethyl-6-bicyclo[2.2.1]heptanyl] formate |
| InChI - | InChI=1/C11H18O2/c1-10(2)8-4-5-11(10,3)9(6-8)13-7-12/h7-9H,4-6H2,1-3H3/t8?,9-,11?/m1/s1 |
| InChIKey - | RDWUNORUTVEHJF-INWMGODYBH |
| SMILES - | CC1(C2CCC1([C@@H](C2)OC=O)C)C |
| CAS Number : | 7492-41-3 |
| (EINECS) Number : | 231-319-5 |
| FEMA Number : | 2161 |
| COE Number : | 349 |
| Molar Refractivity : | 50.94 ± 0.4 cm3 (est) |
| Parachor : | 429.2 ± 6.0 cm3 (est) |
| Index of Refraction : | 1.482 ± 0.03 (est) |
| Surface Tension : | 33.4 ± 5.0 dyne/cm (est) |
| Density : | 1.02 ± 0.1 g/cm3 (est) |
| Polarizability : | 20.19 ± 0.5 10-24cm3 (est) |
| XlogP : | 3.20 (est) |
| XlogP3 : | 3.30 (est) |
| Molecular Weight : | 182.2594200 (IUPAC) (PT) (112) |
| Formula : | C11 H18 O2 |
| NMR Predictor : | Predict |
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| Category : | flavor and fragrance agents |
EU / EUROPA / FDA / JECFA Information :
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| JECFA Food Flavoring : | Bornyl formate.
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| Fl@vouring Number : | 09.082
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| FDA Mainterm : | BORNYL 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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| Inoue : | BORNYL FORMATE
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| Nanjing : | bornyl formate
orders in chinese. |
| Penta : | bornyl formate
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Organoleptics :
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| Odor Type : | balsamic |
| Odor Strength : | medium |
Odor Description: at 100.00 %. | green earthy herbal balsam pine |
Properties :
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| Appearence : | colorless clear oily liquid |
| Assay : | 95.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| Specific Gravity : | 1.00700 to 1.01300 @ 20.00 °C.
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| Pounds per Gallon - est. : | 8.389 to 8.439
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| Refractive Index : | 1.46600 to 1.47200 @ 20.00 °C.
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| Boiling Point : | 225.00 to 230.00 °C. @ 760.00 mm Hg
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| Boiling Point : | 106.00 to 108.00 °C. @ 21.00 mm Hg
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| Acid Value : | 1.00 max. KOH/g
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| Flash Ppoint : | 174.00 °F. TCC ( 78.89 °C. )
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| logP (o/w) : | 3.19 |
Safety :
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| Oral Toxicity(LD50) : | |
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Not determined
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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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| Category : | flavor and fragrance agents |
| Maximised Survey-derived Daily Intakes (MSDI-EU) : | 1.20 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) : | 0.09 (μg/capita/day) |
| Structure Class : | I |
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| Recommendation for bornyl formate fragrance usage levels up to : |
| | 2.0000 % in the fragrance concentrate.
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| Recommendation for bornyl formate flavor usage levels up to : |
| | 5.0000 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 |
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| | [(6R)-1,7,7-trimethyl-6-bicyclo[2.2.1]heptanyl] formate |
| (EINECS) Number : | 231-319-5 |
| Chemidplus : | 007492413 |
| EPA Substance Registry Services : | 7492-41-3 |
References :
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| | [(6R)-1,7,7-trimethyl-6-bicyclo[2.2.1]heptanyl] formate |
| NIST Chemistry WebBook : | 2662881215 |
| Pubchem : | 10534709 |
| Flavornet : | 7492-41-3 |
Other :
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| Export Tariff Code : | 2915.13.0000 |
| VCF-Online: | VCF Volatile Compounds in Food |
| FDA Everything Added to Food in the United States (EAFUS) | View |