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| IUPAC name : | (6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol |
| InChI : | InChI=1/C15H26O/c1-6-15(5,16)12-8-11-14(4)10-7-9-13(2)3/h6,9,11,16H,1,7-8,10,12H2,2-5H3/b14-11+ |
| InChIKey : | FQTLCLSUCSAZDY-SDNWHVSQBS |
| SMILES : | CC(=CCC/C(=C/CCC(C)(C=C)O)/C)C |
| cas number : | 40716-66-3 |
| (EINECS) number : | 255-053-4 |
| beilstein number : | 5731231 |
| coe number : | 67 |
| fl. number : | 02.232 |
| molar refractivity : | 72.56 ± 0.3 cm3 |
| parachor : | 596.5 ± 4.0 cm3 |
| index of refraction : | 1.479 ± 0.02 |
| surface tension : | 29.6 ± 3.0 dyne/cm |
| density : | 0.869 ± 0.06 g/cm3 |
| polarizability : | 28.76 ± 0.5 10-24cm3 |
| XlogP : | 4.30 |
| molecular weight : | 222.3663400 |
| formula : | C15 H26 O |
| BioActivity Analysis : | 48415439 |
| NMR Predictor : | Predict |
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| export tariff code : | unspecified |
| fda reg : | unspecified |
organoleptics :
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| odor type : | floral |
| odor strength : | low |
odor description : at 100.00 %. | floral green citrus woody waxy |
properties :
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| appearence : | colorless to pale yellow clear liquid |
| assay : | 85.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.87600 @ 25.00 °C.
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| refractive index : | 1.47900 @ 20.00 °C.
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| boiling point : | 145.00 to 146.00 °C. @ 12.00 mm Hg
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| boiling point : | 276.00 to 277.00 °C. @ 760.00 mm Hg
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| flash point : | > 230.00 °F. TCC ( > 110.00 °C. )
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| logP (o/w) : | 5.32 |
safety :
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| most important hazard(s) : | Xi - Irritant |
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R 36/38 - Irritating to skin and eyes. R 50/53 - Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. S 24 - Avoid contact with skin. S 25 - Avoid contact with eyes. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 61 - Avoid release to the environment. Refer to special instructions/safety data sheet.
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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 (E)-nerolidol usage levels up to : |
| | 10.0000 % in the fragrance concentrate.
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safety references :
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| EPI System : | view |
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| WGK Germany : | 3 |
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| | (6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol
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| (EINECS) number : | 255-053-4 |
| chemidplus : | 040716663 |
| EPA Substance Registry Services : | 40716-66-3 |
references :
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| | (6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol
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| fl. number : | 02.232 |
| NIST Chemistry WebBook : | 3604548068 |
| pubchem : | 669189 |
Cosmetics :
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| Cosmetic uses : |
perfuming agents
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other :
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| CosIng : | cosmetic data |
| VCF-Online: | VCF Volatile Compounds in Food |