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| IUPAC name : | 3,3,6-trimethylhepta-1,5-dien-4-ol |
| InChI : | InChI=1/C10H18O/c1-6-10(4,5)9(11)7-8(2)3/h6-7,9,11H,1H2,2-5H3 |
| InChIKey : | WPPVSYVQAKQNJK-UHFFFAOYAX |
| SMILES : | CC(=CC(C(C)(C)C=C)O)C |
| cas number : | 29887-38-5 |
| molar refractivity : | 49.46 ± 0.3 cm3 |
| parachor : | 411.6 ± 4.0 cm3 |
| index of refraction : | 1.461 ± 0.02 |
| surface tension : | 27.3 ± 3.0 dyne/cm |
| density : | 0.856 ± 0.06 g/cm3 |
| polarizability : | 19.60 ± 0.5 10-24cm3 |
| XlogP : | 2.30 |
| XlogP3-AA : | 3.10 |
| molecular weight : | 154.2493200 (IUPAC) |
| formula : | C10 H18 O |
| BioActivity Analysis : | 466894 |
| NMR Predictor : | Predict |
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| export tariff code : | unspecified |
| fda reg : | unspecified |
Suppliers :
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| Nanjing : | artemisiaalcohol,3,3,6-trimethyl-1,5-heptadien-4-ol
orders in chinese only. |
organoleptics :
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| odor strength : | medium , recommend smelling in a 10.00 % solution or less |
odor description: at 100.00 %. | herbal |
properties :
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| appearence : | colorless to pale yellow clear oily liquid |
| assay : | 96.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| boiling point : | 214.00 to 215.00 °C. @ 760.00 mm Hg
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| flash point : | 173.00 °F. TCC ( 78.33 °C. )
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| logP (o/w) : | 2.91 |
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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| Category : | natural substances and extractives |
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| recommendation for artemisyl alcohol fragrance usage levels up to : |
| | not for fragrance use.
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| recommendation for artemisyl alcohol flavor usage levels up to : |
| | not for flavor use.
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safety references :
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| EPI System : | view |
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| | 3,3,6-trimethylhepta-1,5-dien-4-ol |
| chemidplus : | 029887385 |
| EPA Substance Registry Services : | 29887-38-5 |
| dtp/nci : | 367110 |
references :
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| | 3,3,6-trimethylhepta-1,5-dien-4-ol |
| NIST Chemistry WebBook : | 2071369229 |
| pubchem : | 3886550 |
| Flavornet : | 29887-38-5 |
other :
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| VCF-Online: | VCF Volatile Compounds in Food |