| InChI : | InChI=1/C15H26O/c1-10(2)9-14-11(3)5-6-13-12(4)7-8-15(13,14)16/h9,11-14,16H,5-8H2,1-4H3/t11-,12-,13+,14?,15-/m0/s1 |
| InChIKey : | QGALFKRHZSPTEG-WQKZHXONBP |
| SMILES : | C/C(C)=C\C1[C@@H](C)CC[C@@H]2[C@@H](C)CC[C@@]12O |
| cas number : | NF0019 (N/A) |
| molar refractivity : | 70.68 ± 0.3 cm3 |
| parachor : | 546.2 ± 4.0 cm3 |
| index of refraction : | 1.541 ± 0.02 |
| surface tension : | 34.9 ± 3.0 dyne/cm |
| density : | 0.990 ± 0.06 g/cm3 |
| polarizability : | 28.02 ± 0.5 10-24cm3 |
| molecular weight : | 222.3663400 (IUPAC) |
| formula : | C15 H26 O |
| NMR Predictor : | Predict |
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organoleptics :
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properties :
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| assay : | 92.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| boiling point : | 281.00 to 283.00 °C. @ 760.00 mm Hg
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| flash point : | 252.00 °F. TCC ( 122.22 °C. )
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| logP (o/w) : | 4.91 |
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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references :
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other :
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| VCF-Online: | VCF Volatile Compounds in Food |
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synonyms :
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| (1S,3aS,5S,7aR)-1,5- | dimethyl-4-(2-methylprop-1-enyl)-1,2,3,4,5,6,7,7a-octahydroinden-3a-ol |
natural occurrence in :
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| data page | valerian root oil @ 0.5-3.2%
| S |
| data page | vassoura oil @ 0.60%
| S |
|