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| IUPAC name : | (2S,4aS)-4a,8-dimethyl-2-prop-1-en-2-yl-2,3,4,5,6,7-hexahydro-1H-naphthalene |
| InChI : | InChI=1/C15H24/c1-11(2)13-7-9-15(4)8-5-6-12(3)14(15)10-13/h13H,1,5-10H2,2-4H3/t13-,15-/m0/s1 |
| InChIKey : | MOTCYZHGMCNNRH-ZFWWWQNUBG |
| SMILES : | CC1=C2C[C@H](CC[C@@]2(CCC1)C)C(=C)C |
| cas number : | 28290-20-2 |
| molar refractivity : | 66.39 ± 0.4 cm3 |
| parachor : | 531.6 ± 6.0 cm3 |
| index of refraction : | 1.494 ± 0.03 |
| surface tension : | 29.7 ± 5.0 dyne/cm |
| density : | 0.89 ± 0.1 g/cm3 |
| polarizability : | 26.31 ± 0.5 10-24cm3 |
| XlogP : | 3.70 |
| XlogP3-AA : | 4.90 |
| molecular weight : | 204.3510600 |
| formula : | C15 H24 |
| NMR Predictor : | Predict |
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| export tariff code : | unspecified |
| fda reg : | unspecified |
organoleptics :
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properties :
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| assay : | 95.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| boiling point : | 271.00 to 273.00 °C. @ 760.00 mm Hg
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| flash point : | 224.00 °F. TCC ( 106.67 °C. )
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| logP (o/w) : | 6.63 |
safety :
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| Oral Toxicity(LD50) : | | |
Not determined
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| Dermal Toxicity(LD50) : | | |
Not determined
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| Inhalation Toxicity(LC50) : | | |
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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| | (2S,4aS)-4a,8-dimethyl-2-prop-1-en-2-yl-2,3,4,5,6,7-hexahydro-1H-naphthalene
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| chemidplus : | 28290-20-2 |
| EPA Substance Registry Services : | 28290-20-2 |
references :
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| | (2S,4aS)-4a,8-dimethyl-2-prop-1-en-2-yl-2,3,4,5,6,7-hexahydro-1H-naphthalene
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| NIST Chemistry WebBook : | 3863211636 |
| pubchem : | 10545479 |
other :
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| VCF-Online: | VCF Volatile Compounds in Food |
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synonyms :
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| (2S,4aS)-4a,8- | dimethyl-2-prop-1-en-2-yl-2,3,4,5,6,7-hexahydro-1H-naphthalene | | (2S,4aS)-2-iso | propenyl-4a,8-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalene | | | selina-4,11-diene |
soluble in :
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| | alcohol |
insoluble in :
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| | water |
natural occurrence in :
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| data page | callitris columellaris wood oil australia @ 0.90% |
| data page | callitris intratropica wood oil australia @ 0.80% |
| data page | lime oil distilled mexico @ 0.13% |
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