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| IUPAC name : | (4-methylidene-1-propan-2-yl-3-bicyclo[3.1.0]hexanyl) acetate |
| InChI : | InChI=1/C12H18O2/c1-7(2)12-5-10(12)8(3)11(6-12)14-9(4)13/h7,10-11H,3,5-6H2,1-2,4H3 |
| InChIKey : | PBWRFXQNNGSAQG-UHFFFAOYAW |
| SMILES : | CC(C)C12CC1C(=C)C(C2)OC(=O)C |
| cas number : | 3536-54-7 |
| molar refractivity : | 54.85 ± 0.4 cm3 |
| parachor : | 452.7 ± 6.0 cm3 |
| index of refraction : | 1.488 ± 0.03 |
| surface tension : | 32.1 ± 5.0 dyne/cm |
| density : | 1.02 ± 0.1 g/cm3 |
| polarizability : | 21.74 ± 0.5 10-24cm3 |
| xlogp : | 2.99 |
| molecular weight : | 194.2701200 |
| formula : | C12 H18 O2 |
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| export tariff code : | unspecified |
| fda reg : | unspecified |
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organoleptics :
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properties :
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| appearence : | colorless clear liquid |
| assay : | 92.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| boiling point : | 230.00 to 231.00 °C. @ 760.00 mm Hg
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| logp : | 3.13 |
safety :
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| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | 183.00 °F. TCC ( 83.89 °C. )
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safety references :
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| EPI System : | view |
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| | (4-methylidene-1-propan-2-yl-3-bicyclo[3.1.0]hexanyl) acetate
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| chemidplus : | 003536547 |
| EPA Substance Registry Services : | 3536-54-7 |
| NLM Chemical Carcinogenesis Research Information System : | 3536-54-7 |
| NLM Developmental and Reproductive Toxicity : | 3536-54-7 |
| NLM Env. Mutagen Info. Center : | 3536-54-7 |
| NLM GENetic TOXicology : | 3536-54-7 |
references :
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| | (4-methylidene-1-propan-2-yl-3-bicyclo[3.1.0]hexanyl) acetate
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| pubchem : | 671336 |
| NIST Chemistry WebBook : | 3647925089 |
other :
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