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| IUPAC name : | 4-methyl-1-(6-methylhept-5-en-2-yl)cyclohex-3-en-1-ol |
| InChI : | InChI=1/C15H26O/c1-12(2)6-5-7-14(4)15(16)10-8-13(3)9-11-15/h6,8,14,16H,5,7,9-11H2,1-4H3 |
| InChIKey : | WTVHAMTYZJGJLJ-UHFFFAOYAG |
| SMILES : | CC1=CCC(CC1)(C(C)CCC=C(C)C)O |
| cas number : | 15352-77-9 |
| molar refractivity : | 70.40 ± 0.3 cm3 |
| parachor : | 580.3 ± 6.0 cm3 |
| index of refraction : | 1.495 ± 0.02 |
| surface tension : | 33.5 ± 3.0 dyne/cm |
| density : | 0.921 ± 0.06 g/cm3 |
| polarizability : | 27.91 ± 0.5 10-24cm3 |
| XlogP : | 3.90 |
| XlogP3-AA : | 4.00 |
| 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 : | ß-bisabolol,(1S)-1-[(1S)-1,5-dimethyl-4-hexenyl]-4-methyl-3-cyclohexen-1-ol
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organoleptics :
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| odor strength : | medium |
odor description : at 100.00 %. | citrus floral tangy lemon fresh sweet herbal |
properties :
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| appearence : | colorless clear viscous liquid |
| assay : | 97.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.92110 @ 25.00 °C.
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| refractive index : | 1.49630 @ 20.00 °C.
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| boiling point : | 305.00 to 307.00 °C. @ 760.00 mm Hg
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| flash point : | 267.00 °F. TCC ( 130.56 °C. )
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| logP (o/w) : | 5.19 |
safety :
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| Oral Toxicity(LD50) : |
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Not determined
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| Dermal Toxicity(LD50) : |
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Not determined
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| Inhalation Toxicity(LC50) : |
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Not determined
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safety in use :
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| recommendation for beta-bisabolol usage levels up to : |
| | 4.0000 % in the fragrance concentrate.
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| recommendation for beta-bisabolol usage levels up to : |
| | 30.0000 ppm in the flavor.
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safety references :
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| EPI System : | view |
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| | 4-methyl-1-(6-methylhept-5-en-2-yl)cyclohex-3-en-1-ol
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| chemidplus : | 015352779 |
| EPA Substance Registry Services : | 15352-77-9 |
references :
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| | 4-methyl-1-(6-methylhept-5-en-2-yl)cyclohex-3-en-1-ol
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| NIST Chemistry WebBook : | 1958385547 |
| pubchem : | 169832 |
other :
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| VCF-Online: | VCF Volatile Compounds in Food |