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| IUPAC name : | 2-hydroxy-3-methylcyclopent-2-en-1-one |
| InChI : | InChI=1/C6H8O2/c1-4-2-3-5(7)6(4)8/h8H,2-3H2,1H3 |
| InChIKey : | CFAKWWQIUFSQFU-UHFFFAOYAU |
| SMILES : | CC1=C(C(=O)CC1)O |
| cas number : | 80-71-7 |
| (EINECS) number : | 201-303-2 |
| beilstein number : | 2039308 |
| fema number : | 2700 |
| coe number : | 758 |
| jecfa number : | 418 |
| fl. number : | 07.056 |
| molar refractivity : | 29.08 ± 0.3 cm3 |
| parachor : | 243.0 ± 6.0 cm3 |
| index of refraction : | 1.548 ± 0.02 |
| surface tension : | 49.8 ± 3.0 dyne/cm |
| density : | 1.225 ± 0.06 g/cm3 |
| polarizability : | 11.52 ± 0.5 10-24cm3 |
| XlogP : | 0.40 |
| molecular weight : | 112.1265200 |
| formula : | C6 H8 O2 |
| NMR Predictor : | Predict |
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| export tariff code : | unspecified |
| fda reg : | unspecified |
Suppliers :
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| Advanced Biotech : | cyclotene hydrate
99% min. natural Odor: Licorice, nutty |
| Inoue : | CYCLOTENE
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| Mane : | methyl cyclopentenolone
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| Penta : | methyl cyclopentenoline
monohydrate |
organoleptics :
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| odor type : | caramellic |
| odor strength : | high , recommend smelling in a 1.00 % solution or less |
odor description : at 1.00 % in dipropylene glycol. | caramel maple syrup |
properties :
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| appearence : | colorless to pale yellow solid |
| assay : | 95.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| melting point : | 104.00 to 108.00 °C. @ 760.00 mm Hg
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| boiling point : | 200.00 °C. @ 760.00 mm Hg
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| vapor pressure : | 0.00400 mm/Hg @ 25.00 °C. |
| flash point : | > 200.00 °F. TCC ( > 93.33 °C. )
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| logP (o/w) : | 0.30 |
safety :
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| most important hazard(s) : |
Xn - Harmful. |
| Oral Toxicity(LD50) : |
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Oral-Guineapig 1400.00 mg/kg
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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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| Maximised Survey-derived Daily Intakes (MSDI-EU) : | 570.00 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) : | 710.00 (μg/capita/day) |
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| recommendation for cyclotene hydrate usage levels up to : |
| | 0.0500 % in the fragrance concentrate.
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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 |
| Chemical Carcinogenesis Research Information System : | Search |
| Toxicology Citations : | Search |
| EPA GENetic TOXicology : | Search |
| Env. Mutagen Info. Center : | Search |
| NLM Developmental and Reproductive Toxicity : | Search |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
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| WGK Germany : | 3 |
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| | 2-hydroxy-3-methylcyclopent-2-en-1-one
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| (EINECS) number : | 201-303-2 |
| RTECS : | GY7298000 for 80-71-7 |
| chemidplus : | 000080717 |
| EPA Substance Registry Services : | 80-71-7 |
| dtp/nci : | 84226 |
references :
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| | 2-hydroxy-3-methylcyclopent-2-en-1-one
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| fl. number : | 07.056 |
| jecfa number : | 418 |
| NIST Chemistry WebBook : | 718912718 |
| pubchem : | 149636 |
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 |