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| IUPAC name : | (1S,2S,4aR,8aS)-4a-methyl-8-methylidene-2-propan-2-yl-1,2,3,4,5,6,7,8a-octahydronaphthalen-1-ol |
| InChI : | InChI=1/C15H26O/c1-10(2)12-7-9-15(4)8-5-6-11(3)13(15)14(12)16/h10,12-14,16H,3,5-9H2,1-2,4H3/t12-,13+,14-,15+/m0/s1 |
| InChIKey : | MSJJKJCIFIGTJY-LJISPDSOBO |
| SMILES : | CC(C)[C@@H]1CC[C@]2(CCCC(=C)[C@@H]2[C@H]1O)C |
| cas number : | 472-07-1 |
| molar refractivity : | 68.40 ± 0.4 cm3 |
| parachor : | 562.3 ± 6.0 cm3 |
| index of refraction : | 1.496 ± 0.03 |
| surface tension : | 33.3 ± 5.0 dyne/cm |
| density : | 0.95 ± 0.1 g/cm3 |
| polarizability : | 27.11 ± 0.5 10-24cm3 |
| XlogP : | 4.50 |
| molecular weight : | 222.3663400 (IUPAC) |
| formula : | C15 H26 O |
| 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 |
| melting point : | 62.50 to 63.00 °C. @ 760.00 mm Hg
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| boiling point : | 303.00 to 304.00 °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) : | 4.92 |
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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| | (1S,2S,4aR,8aS)-4a-methyl-8-methylidene-2-propan-2-yl-1,2,3,4,5,6,7,8a-octahydronaphthalen-1-ol |
| chemidplus : | 000472071 |
| EPA Substance Registry Services : | 472-07-1 |
references :
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| | (1S,2S,4aR,8aS)-4a-methyl-8-methylidene-2-propan-2-yl-1,2,3,4,5,6,7,8a-octahydronaphthalen-1-ol |
| NIST Chemistry WebBook : | 472071 |
| pubchem : | 3727341 |
other :
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| VCF-Online: | VCF Volatile Compounds in Food |
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synonyms :
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| (1S- (1alpha,2beta, 4abeta,8aalpha))- | decahydro-4a-methyl-8-methylene-2-(1-methyl ethyl)-1-naphthalenol | | (1S,2S,4aR,8aS)- | decahydro-4a-methyl-8-methylene-2-(1-methyl ethyl)-1-naphthalenol | | | eudesm-4(14)-en-6alpha-ol | | (+)- | junenol | | (1S,2S,4aR,8aS)-4a- | methyl-8-methylidene-2-propan-2-yl-1,2,3,4,5,6,7,8a-octahydronaphthalen-1-ol |
soluble in :
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| | alcohol |
insoluble in :
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| | water |
natural occurrence in :
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| | juniperus communis l. berry oil
| S |
| data page | snake root oil canada @ 1.40%
| S |
| data page | vassoura oil @ 0.40%
| S |
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