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| IUPAC name : | (1,5,5-trimethyl-6-bicyclo[2.2.1]heptanyl) acetate |
| InChI : | InChI=1/C12H20O2/c1-8(13)14-10-11(2,3)9-5-6-12(10,4)7-9/h9-10H,5-7H2,1-4H3 |
| InChIKey : | JUWUWIGZUVEFQB-UHFFFAOYAI |
| SMILES : | CC(=O)OC1C(C2CCC1(C2)C)(C)C |
| cas number : | 4057-31-2 |
| molar refractivity : | 55.34 ± 0.4 cm3 |
| parachor : | 495.6 ± 6.0 cm3 |
| index of refraction : | 1.480 ± 0.03 |
| surface tension : | 32.6 ± 5.0 dyne/cm |
| density : | 1.00 ± 0.1 g/cm3 |
| polarizability : | 21.94 ± 0.5 10-24cm3 |
| XlogP : | 3.10 |
| molecular weight : | 196.2860000 (IUPAC) |
| formula : | C12 H20 O2 |
| pherobase : | view |
| NMR Predictor : | Predict |
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| export tariff code : | unspecified |
| fda reg : | unspecified |
organoleptics :
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properties :
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| Food Chemicals Codex Listed : | No |
| boiling point : | 219.00 to 220.00 °C. @ 760.00 mm Hg
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| flash point : | 189.00 °F. TCC ( 87.22 °C. )
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| logP (o/w) : | 3.60 |
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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safety references :
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| EPI System : | view |
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| | (1,5,5-trimethyl-6-bicyclo[2.2.1]heptanyl) acetate |
| chemidplus : | 004057312 |
| EPA Substance Registry Services : | 4057-31-2 |
| dtp/nci : | 404295 |
references :
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| | (1,5,5-trimethyl-6-bicyclo[2.2.1]heptanyl) acetate |
| NIST Chemistry WebBook : | 3752708529 |
| pubchem : | 684432 |
other :
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| VCF-Online: | VCF Volatile Compounds in Food |