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| IUPAC name : | [(6S)-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-,11u/m0/s1 |
| InChIKey : | RDWUNORUTVEHJF-YUCVTWSNBY |
| SMILES : | CC1(C2CCC1([C@H](C2)OC=O)C)C |
| cas number : | 1200-67-5 |
| (EINECS) number : | 214-853-3 |
| fema number : | 2162 |
| coe number : | 565 |
| jecfa number : | 1390 |
| fl. number : | 09.176 |
| molar refractivity : | 50.94 ± 0.4 cm3 |
| parachor : | 429.2 ± 6.0 cm3 |
| index of refraction : | 1.482 ± 0.03 |
| surface tension : | 33.4 ± 5.0 dyne/cm |
| density : | 1.02 ± 0.1 g/cm3 |
| polarizability : | 20.19 ± 0.5 10-24cm3 |
| XlogP : | 3.20 |
| XlogP3 : | 3.30 |
| molecular weight : | 182.2594200 (IUPAC) |
| formula : | C11 H18 O2 |
| NMR Predictor : | Predict |
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| export tariff code : | 2915.13.0000 |
| fda reg : | 172.515 |
Suppliers :
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| Nanjing : | isobornyl formate
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| Penta : | isobornyl formate
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| Pfaltz & Bauer : | isobornyl Formate
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organoleptics :
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| odor type : | balsamic |
| odor strength : | medium |
odor description :¹ at 100.00 %. | camphor musty medical woody |
| odor sample from : | Nickstadt Moeller, Inc. |
| substantivity : | 12 Hour(s) |
properties :
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| appearence : | colorless clear liquid |
| assay : | 96.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 1.01100 to 1.01700 @ 25.00 °C.
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| pounds per gallon - calc. : | 8.413 to 8.462
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| refractive index : | 1.46900 to 1.47300 @ 20.00 °C.
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| boiling point : | 110.00 °C. @ 20.00 mm Hg
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| boiling point : | 85.00 to 86.00 °C. @ 7.00 mm Hg
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| acid value : | 1.00 max. KOH/g
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| flash point : | 173.00 °F. TCC ( 78.33 °C. )
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| logP (o/w) : | 3.19 |
safety :
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| Human experience : | 2 % solution: no irritation or sensitization. |
| Oral Toxicity(LD50) : |
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Oral-Rat >5000.00 mg/kg (Levenstein, 1975p)
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| Dermal Toxicity(LD50) : |
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Skin-Rabbit >5000.00 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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| Maximised Survey-derived Daily Intakes (MSDI-EU) : | 0.61 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) : | 0.40 (μg/capita/day) |
| Structure Class : | I |
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| recommendation for isobornyl formate usage levels up to : |
| | 2.0000 % in the fragrance concentrate.
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| recommendation for isobornyl formate usage levels up to : |
| | 30.0000 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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| | [(6S)-1,7,7-trimethyl-6-bicyclo[2.2.1]heptanyl] formate
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| (EINECS) number : | 214-853-3 |
| chemidplus : | 001200675 |
| EPA Substance Registry Services : | 1200-67-5 |
references :
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| | [(6S)-1,7,7-trimethyl-6-bicyclo[2.2.1]heptanyl] formate
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| fl. number : | 09.176 |
| jecfa number : | 1390 |
| NIST Chemistry WebBook : | 1200675 |
| pubchem : | 203685 |
Cosmetics :
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| Cosmetic uses : |
perfuming agents
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other :
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| reference : | Luebke, William tgsc, (1985)¹ |
| CosIng : | cosmetic data |
| VCF-Online: | VCF Volatile Compounds in Food |
| FDA Everything Added to Food in the United States (EAFUS) | View |