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| IUPAC name : | (1S,4aR,8aR)-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/t13-,14-,15-/m0/s1 |
| InChIKey : | QMAYBMKBYCGXDH-KKUMJFAQBF |
| SMILES : | CC(C)[C@@H]1C\C=C(\C)[C@@H]2CCC(\C)=C/[C@@H]12 |
| cas number : | 24406-05-1 |
| 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 |
| molecular weight : | 204.3510600 (IUPAC) |
| formula : | C15 H24 |
| NMR Predictor : | Predict |
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| export tariff code : | unspecified |
| fda reg : | unspecified |
organoleptics :
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| odor strength : | medium |
odor description :
at 100.00 %. | woody dry |
properties :
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| appearence : | colorless to yellow clear liquid |
| assay : | 95.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.90800 to 0.92500 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.555 to 7.697
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| refractive index : | 1.51000 to 1.52000 @ 20.00 °C.
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| 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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| Human experience : | 10 % solution: no irritation or sensitization. |
| 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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| recommendation for alpha-cadinene usage levels up to : | | | 5.0000 % in the fragrance concentrate.
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safety references :
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| EPI System : | view |
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| | (1S,4aR,8aR)-4,7-dimethyl-1-(propan-2-yl)-1,2,4a,5,6,8a-hexahydronaphthalene
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| chemidplus : | 024406051 |
| EPA Substance Registry Services : | 24406-05-1 |
references :
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| | (1S,4aR,8aR)-4,7-dimethyl-1-(propan-2-yl)-1,2,4a,5,6,8a-hexahydronaphthalene
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| pubchem : | 3735929 |
other :
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| VCF-Online: | VCF Volatile Compounds in Food |
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synonyms :
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| 4,9- | cadinadiene | | (-)-alpha- | cadinene | | (1S,4aR,8aR)-4,7- | dimethyl-1-(propan-2-yl)-1,2,4a,5,6,8a-hexahydronaphthalene | | (1S- (1alpha,4abeta,8aalpha))- 1,2,4a,5,6,8a- | hexahydro-4,7-dimethyl-1-(1-methyl ethyl) naphthalene | | (1S,4aR,8aR)- 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 |
(odor and/or flavor) used in :
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| | amyris |
natural occurrence in :
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| data page | cedrela wood oil @ 0.16% |
| data page | clary sage oil spain @ 0.14% |
| dacrydium colensol |
| data page | juniper berry oil @ 2.50% |
| data page | pinus sylvestris l. needle oil estonia @ 0.10% |
| data page | pteronia oil @ 0.30% |
| data page | rosemary oil france @ 0.00-0.08% |
| data page | rosemary oil morocco @ 0.08-0.98% |
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