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| IUPAC name : | 2-(5-ethenyl-5-methyloxolan-2-yl)propan-2-ol |
| InChI : | InChI=1/C10H18O2/c1-5-10(4)7-6-8(12-10)9(2,3)11/h5,8,11H,1,6-7H2,2-4H3 |
| InChIKey : | BRHDDEIRQPDPMG-UHFFFAOYAG |
| SMILES : | CC1(CCC(O1)C(C)(C)O)C=C |
| cas number : | 60047-17-8 |
| (EINECS) number : | 262-038-6 |
| beilstein number : | 0117527 |
| fema number : | 3746 |
| coe number : | 11876 |
| molar refractivity : | 50.54 ± 0.3 cm3 |
| parachor : | 417.9 ± 6.0 cm3 |
| index of refraction : | 1.519 ± 0.02 |
| surface tension : | 39.9 ± 3.0 dyne/cm |
| density : | 1.023 ± 0.06 g/cm3 |
| polarizability : | 20.03 ± 0.5 10-24cm3 |
| XlogP : | 1.60 |
| molecular weight : | 170.2487200 (IUPAC) |
| formula : | C10 H18 O2 |
| NMR Predictor : | Predict |
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| export tariff code : | unspecified |
| fda reg : | 172.515 |
Suppliers :
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| Inoue : | LINALOOL OXIDE
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| Sigma-Aldrich-Aldrich : | Linalool oxide
purum, mixture of isomers, ≥97.0% (GC) If you get a cover box over Sigma-aldrich web page, click here to set your country of origin. |
organoleptics :
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| odor type : | balsamic |
| odor strength : | medium |
odor description: at 100.00 %. | musty camphor fenchyl alcohol |
properties :
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| appearence : | pale yellow clear liquid |
| assay : | 97.00 to 100.00 % sum of isomers
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.94390 @ 20.00 °C.
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| specific gravity : | 0.94310 to 0.94420 @ 15.00 °C.
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| pounds per gallon - calc. : | 7.864 to 7.873
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| refractive index : | 1.45225 @ 20.00 °C.
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| refractive index : | 1.45191 to 1.45221 @ 20.00 °C.
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| melting point : | 128.30 °C. @ 0.00 mm Hg
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| boiling point : | 193.00 to 194.00 °C. @ 760.00 mm Hg
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| boiling point : | 53.00 to 53.50 °C. @ 3.50 mm Hg
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| flash point : | 163.00 °F. TCC ( 72.78 °C. )
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| logP (o/w) : | 2.43 |
safety :
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| most important hazard(s) : | Xn - Harmful. |
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R 22 - Harmful if swallowed. R 36/38 - Irritating to skin and eyes. S 02 - Keep out of the reach of children. S 20/21 - When using do not eat, drink or smoke. 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 37/39 - Wear suitable gloves and eye/face protection.
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| Oral Toxicity(LD50) : | |
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Oral-Rat 1150.00 mg/kg
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| Dermal Toxicity(LD50) : | |
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Skin-Rabbit 2500.00 mg/kg
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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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| recommendation for linalool oxide (furanoid) fragrance usage levels up to : |
| | 5.0000 % in the fragrance concentrate.
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safety references :
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| EPI System : | view |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
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| WGK Germany : | 2 |
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| | 2-(5-ethenyl-5-methyloxolan-2-yl)propan-2-ol |
| (EINECS) number : | 262-038-6 |
| RTECS : | OI7782000 for cas# 60047-17-8 |
| chemidplus : | 060047178 |
| EPA Substance Registry Services : | 60047-17-8 |
| dtp/nci : | 93936 |
references :
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| Leffingwell : | chirality |
| | 2-(5-ethenyl-5-methyloxolan-2-yl)propan-2-ol |
| NIST Chemistry WebBook : | 112574565 |
| pubchem : | 198681 |
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 |
| FDA Everything Added to Food in the United States (EAFUS) | View |