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| IUPAC name : | 2-(4-methylidenecyclohexyl)propan-2-yl benzoate |
| InChI : | InChI=1/C17H22O2/c1-13-9-11-15(12-10-13)17(2,3)19-16(18)14-7-5-4-6-8-14/h4-8,15H,1,9-12H2,2-3H3 |
| InChIKey : | CTROGWVSSFFUJS-UHFFFAOYAL |
| SMILES : | CC(C)(C1CCC(=C)CC1)OC(=O)C2=CC=CC=C2 |
| cas number : | 71648-34-5 |
| (EINECS) number : | 275-763-8 |
| molar refractivity : | 77.02 ± 0.4 cm3 |
| parachor : | 620.0 ± 6.0 cm3 |
| index of refraction : | 1.525 ± 0.03 |
| surface tension : | 37.1 ± 5.0 dyne/cm |
| density : | 1.02 ± 0.1 g/cm3 |
| polarizability : | 30.53 ± 0.5 10-24cm3 |
| XlogP : | 4.90 |
| molecular weight : | 258.3553800 |
| formula : | C17 H22 O2 |
| NMR Predictor : | Predict |
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| export tariff code : | unspecified |
| fda reg : | unspecified |
organoleptics :
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| odor type : | balsamic |
| odor strength : | medium |
odor description :
at 100.00 %. | fir tree ylang niobe cypress |
properties :
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| appearence : | colorless clear liquid |
| assay : | 95.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.97000 @ 25.00 °C.
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| boiling point : | 320.00 °C. @ 760.00 mm Hg
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| flash point : | 289.00 °F. TCC ( 142.78 °C. )
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| logP (o/w) : | 5.66 |
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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| recommendation for terpinyl benzoate usage levels up to : |
| | 2.0000 % in the fragrance concentrate.
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safety references :
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| EPI System : | view |
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| | 2-(4-methylidenecyclohexyl)propan-2-yl benzoate
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| (EINECS) number : | 275-763-8 |
| chemidplus : | 071648345 |
| EPA Substance Registry Services : | 71648-34-5 |
references :
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| | 2-(4-methylidenecyclohexyl)propan-2-yl benzoate
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| pubchem : | 10384311 |
other :
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