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| IUPAC name : | (E)-4-phenylbut-3-en-2-ol |
| InChI : | InChI=1/C10H12O/c1-9(8-11)7-10-5-3-2-4-6-10/h2-7,11H,8H2,1H3/b9-7-
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| InChIKey : | LLNAMUJRIZIXHF-CLFYSBASBK |
| SMILES : | CC(\C=C\C1=CC=CC=C1)O |
| cas number : | 1504-55-8 |
| (EINECS) number : | 216-128-7 |
| molar refractivity : | 48.15 ± 0.3 cm3 |
| parachor : | 362.9 ± 4.0 cm3 |
| index of refraction : | 1.582 ± 0.02 |
| surface tension : | 40.1 ± 3.0 dyne/cm |
| density : | 1.027 ± 0.06 g/cm3 |
| polarizability : | 18.08 ± 0.5 10-24cm3 |
| XlogP : | 2.30 |
| molecular weight : | 148.2016800 |
| formula : | C10 H12 O |
| NMR Predictor : | Predict |
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| export tariff code : | 2906.29.0000 |
| fda reg : | unspecified |
Suppliers :
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| Sigma-Aldrich-Aldrich : | trans-2-Methyl-3-phenyl-2-propen-1-ol
95% |
organoleptics :
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| odor type : | balsamic |
| odor strength : | medium |
odor description : at 100.00 %. | sweet balsam floral oriental styrax |
| substantivity : | 48 Hour(s) |
properties :
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| appearence : | colorless to pale yellow liquid to solid |
| assay : | 98.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 1.02700 to 1.03200 @ 25.00 °C.
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| pounds per gallon - calc. : | 8.546 to 8.587
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| refractive index : | 1.57000 to 1.57500 @ 20.00 °C.
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| boiling point : | 288.00 to 289.00 °C. @ 760.00 mm Hg
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| boiling point : | 77.00 °C. @ 0.10 mm Hg
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| flash point : | > 200.00 °F. TCC ( > 93.33 °C. )
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| logP (o/w) : | 2.25 |
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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Oral-Rat 2400.00 ul/kg
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| Dermal Toxicity(LD50) : |
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Skin-Rabbit >5000.00 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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| recommendation for alpha-methyl cinnamyl alcohol usage levels up to : |
| | 20.0000 % in the fragrance concentrate.
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| recommendation for alpha-methyl cinnamyl alcohol usage levels up to : |
| | not for flavor use.
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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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| | (E)-4-phenylbut-3-en-2-ol
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| (EINECS) number : | 216-128-7 |
| RTECS : | GE2340000 for 1504-55-8 |
| chemidplus : | 017488652 |
| EPA Substance Registry Services : | 1504-55-8 |
references :
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| | (E)-4-phenylbut-3-en-2-ol
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| NIST Chemistry WebBook : | 1504558 |
| pubchem : | 204610 |
Cosmetics :
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| Cosmetic uses : |
perfuming agents
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other :
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| CosIng : | cosmetic data |