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| IUPAC name : | 1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone |
| InChI : | InChI=1/C12H14O/c1-9(13)11-7-6-10-4-2-3-5-12(10)8-11/h6-8H,2-5H2,1H3 |
| InChIKey : | VEPUKHYQNXSSKV-UHFFFAOYAZ |
| SMILES : | CC(=O)C1=CC2=C(CCCC2)C=C1 |
| cas number : | 774-55-0 |
| (EINECS) number : | 212-266-7 |
| molar refractivity : | 53.06 ± 0.3 cm3 |
| parachor : | 418.7 ± 4.0 cm3 |
| index of refraction : | 1.545 ± 0.02 |
| surface tension : | 38.7 ± 3.0 dyne/cm |
| density : | 1.038 ± 0.06 g/cm3 |
| polarizability : | 21.03 ± 0.5 10-24cm3 |
| XlogP : | 3.30 |
| XlogP3-AA : | 3.00 |
| molecular weight : | 174.2389600 (IUPAC) |
| formula : | C12 H14 O |
| BioActivity Analysis : | 71323 |
| NMR Predictor : | Predict |
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| export tariff code : | 2914.19.9090 |
| fda reg : | unspecified |
Suppliers :
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| Nanjing : | 6-acetyl-1,2,3,4-tetrahydronaphthalene
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| Pfaltz & Bauer : | 6-Acetyl Tetralin
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| Takasago : | Florantone T
≥98% as Acetyl tetralin Odor: Orange flower with some musk character. |
organoleptics :
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| odor type : | floral |
| odor strength : | medium |
odor description : at 100.00 %. | floral orangeflower musk |
properties :
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| appearence : | colorless clear liquid |
| assay : | 98.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 1.05000 to 1.07000 @ 20.00 °C.
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| pounds per gallon - calc. : | 8.747 to 8.914
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| refractive index : | 1.55500 to 1.60000 @ 20.00 °C.
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| boiling point : | 130.00 °C. @ 8.00 mm Hg
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| boiling point : | 312.00 to 313.00 °C. @ 760.00 mm Hg
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| flash point : | 309.00 °F. TCC ( 153.89 °C. )
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| logP (o/w) : | 3.35 |
safety :
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| most important hazard(s) : | Xn N - Harmful, Dangerous for the environment. |
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R 22 - Harmful if swallowed. R 51/53 - Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. S 02 - Keep out of the reach of children. S 20/21 - When using do not eat, drink or smoke. S 36/37/39 - Wear suitable clothing, gloves and eye/face protection. 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 acetyl tetralin usage levels up to : |
| | not for fragrance use.
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| recommendation for acetyl tetralin 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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| | 1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
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| (EINECS) number : | 212-266-7 |
| chemidplus : | 000774550 |
| EPA Substance Registry Services : | 774-55-0 |
| dtp/nci : | 5179 |
references :
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| | 1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
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| NIST Chemistry WebBook : | 4234713131 |
| pubchem : | 212069 |
other :
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