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| IUPAC name : | (1S,4S)-1,6-dimethyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-ol |
| InChI : | InChI=1/C15H26O/c1-10(2)12-7-8-15(4,16)14-6-5-11(3)9-13(12)14/h9-10,12-14,16H,5-8H2,1-4H3/t12-,13u,14u,15-/m0/s1 |
| InChIKey : | LHYHMMRYTDARSZ-PPWQZUPIBI |
| SMILES : | CC1=CC2[C@@H](CC[C@](C2CC1)(C)O)C(C)C |
| cas number : | 36564-42-8 |
| molar refractivity : | 68.54 ± 0.3 cm3 |
| parachor : | 560.8 ± 6.0 cm3 |
| index of refraction : | 1.489 ± 0.02 |
| surface tension : | 31.2 ± 3.0 dyne/cm |
| density : | 0.937 ± 0.06 g/cm3 |
| polarizability : | 27.17 ± 0.5 10-24cm3 |
| XlogP : | 4.50 |
| XlogP3-AA : | 3.30 |
| molecular weight : | 222.3663400 (IUPAC) |
| formula : | C15 H26 O |
| NMR Predictor : | Predict |
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| export tariff code : | unspecified |
| fda reg : | unspecified |
Suppliers :
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| Nanjing : | delta-cadinol
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organoleptics :
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| odor strength : | medium |
odor description : at 100.00 %. | herbal |
properties :
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| assay : | 95.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| boiling point : | 302.00 to 303.00 °C. @ 760.00 mm Hg
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| flash point : | 263.00 °F. TCC ( 128.33 °C. )
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| logP (o/w) : | 4.95 |
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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| recommendation for delta-cadinol usage levels up to : | | | 3.0000 % in the fragrance concentrate.
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safety references :
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| EPI System : | view |
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| | (1S,4S)-1,6-dimethyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-ol
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| chemidplus : | 36564-42-8 |
| EPA Substance Registry Services : | 36564-42-8 |
references :
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| | (1S,4S)-1,6-dimethyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-ol
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| NIST Chemistry WebBook : | 110441349 |
| pubchem : | 10520343 |
other :
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| VCF-Online: | VCF Volatile Compounds in Food |
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synonyms :
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| (1S,4S)-1,6- | dimethyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-ol | | tau- | muurolol | | 4-iso | propyl-1,6-dimethyl-1,2,3,4,4a,7,8,8a-octahydro-1-naphthalenol |
soluble in :
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| | alcohol |
insoluble in :
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| | water |
natural occurrence in :
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| data page | amyris wood oil @ 0.20% |
| annona atemoya |
| data page | basil oil sweet poland @ 0.52% |
| data page | betel leaf oil @ 1.19% |
| data page | cypress oil @ trace% |
| data page | mastic fruit oil @ 3.89% |
| data page | mastic leaf oil @ 3.56% |
| data page | thyme oil red spain @ trace-0.09% |
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