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| IUPAC name : | 4,7-dimethyl-1-propan-2-yl-1,2,4a,5,6,8a-hexahydronaphthalene |
| InChI : | InChI=1/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h6,9-10,13-15H,5,7-8H2,1-4H3 |
| InChIKey : | QMAYBMKBYCGXDH-UHFFFAOYAK |
| SMILES : | CC1=CC2C(CC1)C(=CCC2C(C)C)C |
| cas number : | 483-75-0 |
| (EINECS) number : | 207-598-4 |
| molar refractivity : | 66.64 ± 0.3 cm3 |
| parachor : | 531.4 ± 6.0 cm3 |
| index of refraction : | 1.483 ± 0.02 |
| surface tension : | 27.0 ± 3.0 dyne/cm |
| density : | 0.876 ± 0.06 g/cm3 |
| polarizability : | 26.42 ± 0.5 10-24cm3 |
| XlogP : | 4.20 |
| XlogP3-AA : | 4.10 |
| molecular weight : | 204.3510600 (IUPAC) |
| formula : | C15 H24 |
| NMR Predictor : | Predict |
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| export tariff code : | unspecified |
| fda reg : | unspecified |
Suppliers :
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| Nanjing : | 1,2,4a,5,6,8a-hexahydro-1-isopropyl-4,7-dimethylnaphthalene
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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 272.00 °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) : | 6.56 |
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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| | 4,7-dimethyl-1-propan-2-yl-1,2,4a,5,6,8a-hexahydronaphthalene
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| (EINECS) number : | 207-598-4 |
| chemidplus : | 000483750 |
| EPA Substance Registry Services : | 483-75-0 |
references :
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| | 4,7-dimethyl-1-propan-2-yl-1,2,4a,5,6,8a-hexahydronaphthalene
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| NIST Chemistry WebBook : | 494447174 |
| pubchem : | 679146 |
other :
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| VCF-Online: | VCF Volatile Compounds in Food |
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synonyms :
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| 7-epi-alpha- | cadinene | | 4,7- | dimethyl-1-propan-2-yl-1,2,4a,5,6,8a-hexahydronaphthalene | | 1,2,4a,5,6,8a- | hexahydro-1-isopropyl-4,7-dimethyl naphthalene | | | muurola-4,9-diene | | 1-iso | propyl-4,7-dimethyl-1,2,4a,5,6,8a-hexahydronaphthalene |
soluble in :
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| | alcohol |
insoluble in :
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| | water |
natural occurrence in :
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| data page | bay leaf oil @ 0.00-0.39% |
| data page | cananga leaf oil @ 0.4% |
| data page | galangal root oil @ 0.10% |
| data page | labdanum oil @ 0.80% |
| data page | manuka var. scoparium oil new zealand @ 0.33% |
| data page | mastic fruit oil @ 0.17% |
| data page | mastic leaf oil @ 2.74% |
| data page | parsley leaf oil cuba @ 0.02% |
| data page | pepper oil black india @ 1.00% |
| data page | pimenta leaf oil @ 2.77% |
| rosemarinus officinalis |
| data page | tea tree oil australia @ 0.29% |
| data page | ylang ylang oil @ 0.13% |
| data page | ylang ylang oil CO2 extract @ 1.46% |
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