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| IUPAC name : | (3S)-3,7-dimethylocta-1,6-dien-3-ol |
| InChI : | InChI=1/C10H18O/c1-5-10(4,11)8-6-7-9(2)3/h5,7,11H,1,6,8H2,2-4H3/t10-/m1/s1 |
| InChIKey : | CDOSHBSSFJOMGT-SNVBAGLBBB |
| SMILES : | CC(=CCC[C@@](C)(C=C)O)C |
| cas number : | 126-90-9 |
| (EINECS) number : | 204-810-7 |
| molar refractivity : | 49.50 ± 0.3 cm3 |
| parachor : | 414.2 ± 4.0 cm3 |
| index of refraction : | 1.463 ± 0.02 |
| surface tension : | 28.2 ± 3.0 dyne/cm |
| density : | 0.858 ± 0.06 g/cm3 |
| polarizability : | 19.62 ± 0.5 10-24cm3 |
| XlogP : | 2.50 |
| molecular weight : | 154.2493200 (IUPAC) |
| formula : | C10 H18 O |
| NMR Predictor : | Predict |
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| export tariff code : | unspecified |
| fda reg : | unspecified |
Suppliers :
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| Payand Betrand : | dextro-Linalool
Russia, Natural Isolated Constituent |
organoleptics :
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| odor strength : | medium |
odor description: at 100.00 %. | floral |
properties :
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| appearence : | colorless clear liquid |
| assay : | 97.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| boiling point : | 187.00 to 199.00 °C. @ 760.00 mm Hg
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| flash point : | 184.00 °F. TCC ( 84.44 °C. )
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| logP (o/w) : | 3.28 |
safety :
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| most important hazard(s) : | Xi - Irritant |
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R 36/38 - Irritating to skin and eyes. S 02 - Keep out of the reach of children. S 24/25 - Avoid contact with skin and eyes. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36 - Wear suitable protective clothing.
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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 : | flavor and fragrance agents |
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| IFRA other specification : | < 20 mmoles / liter peroxides |
| recommendation for dextro-linalool fragrance usage levels up to : |
| | 14.0000 % in the fragrance concentrate.
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safety references :
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| EPI System : | view |
| IFRA : | IFRA - ( Found under : Linalool ) |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
| SCCNFP : | opinion |
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| WGK Germany : | 1 |
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| | (3S)-3,7-dimethylocta-1,6-dien-3-ol |
| (EINECS) number : | 204-810-7 |
| chemidplus : | 000126909 |
| EPA Substance Registry Services : | 126-90-9 |
references :
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| Leffingwell : | chirality |
| | (3S)-3,7-dimethylocta-1,6-dien-3-ol |
| NIST Chemistry WebBook : | 126909 |
| pubchem : | 209289 |
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 |