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| IUPAC name : | 3-hydroxypentan-2-one |
| InChI : | InChI=1/C5H10O2/c1-3-5(7)4(2)6/h5,7H,3H2,1-2H3 |
| InChIKey : | HDKKRASBPHFULQ-UHFFFAOYAH |
| SMILES : | CCC(C(=O)C)O |
| cas number : | 3142-66-3 |
| fema number : | 3550 |
| coe number : | 11115 |
| jecfa number : | 409 |
| fl. number : | 07.125 |
| molar refractivity : | 26.73 ± 0.3 cm3 |
| parachor : | 250.2 ± 4.0 cm3 |
| index of refraction : | 1.418 ± 0.02 |
| surface tension : | 30.9 ± 3.0 dyne/cm |
| density : | 0.962 ± 0.06 g/cm3 |
| polarizability : | 10.59 ± 0.5 10-24cm3 |
| XlogP3-AA : | 0.20 |
| molecular weight : | 102.1317000 (IUPAC) |
| formula : | C5 H10 O2 |
| pherobase floral: | view |
| NMR Predictor : | Predict |
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| export tariff code : | unspecified |
| fda reg : | unspecified |
Suppliers :
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| Nanjing : | acetylethyl carbinol
orders in chinese. |
| Penta : | 3-hydroxy-2-pentanone
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organoleptics :
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| odor type : | herbal |
| odor strength : | medium |
odor description: at 100.00 %. | herbal truffle |
taste description:
| buttery creamy |
properties :
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| assay : | 97.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 1.00800 to 1.01400 @ 25.00 °C.
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| pounds per gallon - calc. : | 8.388 to 8.437
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| refractive index : | 1.43600 to 1.44000 @ 20.00 °C.
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| boiling point : | 105.00 to 107.00 °C. @ 50.00 mm Hg
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| flash point : | 128.00 °F. TCC ( 53.33 °C. )
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| logP (o/w) : | 0.10 |
safety :
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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 : | flavoring agents |
| Maximised Survey-derived Daily Intakes (MSDI-EU) : | ND (μg/capita/day) |
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| recommendation for acetyl ethyl carbinol fragrance usage levels up to : |
| | not for fragrance use.
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safety references :
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| European Food Safety Athority(efsa) : | Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies... |
| EPI System : | view |
| Canada Domestic Sub. List : | Yes |
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| | 3-hydroxypentan-2-one |
| chemidplus : | 003142663 |
| EPA Substance Registry Services : | 3142-66-3 |
references :
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| | 3-hydroxypentan-2-one |
| fl. number : | 07.125 |
| jecfa number : | 409 |
| NIST Chemistry WebBook : | 3997853917 |
| pubchem : | 203913 |
| Flavornet : | 3142-66-3 |
other :
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| VCF-Online: | VCF Volatile Compounds in Food |
| FDA Everything Added to Food in the United States (EAFUS) | View |