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| IUPAC name : | 2-[(2S,5S)-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/t8-,10+/m0/s1 |
| InChIKey : | BRHDDEIRQPDPMG-WCBMZHEXBT |
| SMILES : | C[C@]1(CC[C@H](O1)C(C)(C)O)C=C |
| cas number : | 34995-77-2 |
| (EINECS) number : | 252-312-3 |
| 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 |
| pherobase floral: | view |
| NMR Predictor : | Predict |
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| export tariff code : | unspecified |
| fda reg : | unspecified |
organoleptics :
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| odor strength : | medium |
odor description:
at 100.00 %. | floral |
properties :
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| appearence : | colorless clear liquid |
| assay : | 90.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| boiling point : | 201.00 to 202.00 °C. @ 760.00 mm Hg
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| flash point : | 141.00 °F. TCC ( 60.56 °C. )
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| logP (o/w) : | 1.56 |
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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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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| recommendation for (E)-linalool oxide (furanoid) fragrance usage levels up to : |
| | 2.0000 % 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-[(2S,5S)-5-ethenyl-5-methyloxolan-2-yl]propan-2-ol |
| (EINECS) number : | 252-312-3 |
| chemidplus : | 034995772 |
| EPA Substance Registry Services : | 34995-77-2 |
references :
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| Leffingwell : | chirality |
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2-[(2S,5S)-5-ethenyl-5-methyloxolan-2-yl]propan-2-ol |
| NIST Chemistry WebBook : | 34995772 |
| pubchem : | 694912 |
| Flavornet : | 34995-77-2 |
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 |