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| IUPAC name : | prop-2-enyl 4-oxopentanoate |
| InChI : | InChI=1/C8H12O3/c1-3-6-11-8(10)5-4-7(2)9/h3H,1,4-6H2,2H3 |
| InChIKey : | NETFSRNRGBJVMU-UHFFFAOYAS |
| SMILES : | CC(=O)CCC(=O)OCC=C |
| cas number : | 1070-35-5 |
| molar refractivity : | 40.64 ± 0.3 cm3 |
| parachor : | 369.2 ± 4.0 cm3 |
| index of refraction : | 1.433 ± 0.02 |
| surface tension : | 31.1 ± 3.0 dyne/cm |
| density : | 0.999 ± 0.06 g/cm3 |
| polarizability : | 16.11 ± 0.5 10-24cm3 |
| XlogP : | 0.50 |
| XlogP3-AA : | 0.30 |
| molecular weight : | 156.1790800 (IUPAC) |
| formula : | C8 H12 O3 |
| NMR Predictor : | Predict |
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| export tariff code : | unspecified |
| fda reg : | unspecified |
Suppliers :
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| Inoue : | ALLYL LEVULINATE
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| Nanjing : | 4-oxo-pentanoic acid 2-allyl ester
orders in chinese. |
organoleptics :
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properties :
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| appearence : | colorless to pale yellow clear liquid |
| assay : | 95.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| boiling point : | 224.00 to 226.00 °C. @ 760.00 mm Hg
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| flash point : | 196.00 °F. TCC ( 91.11 °C. )
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| logP (o/w) : | 0.69 |
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 |
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| IFRA purity specification : | < 0.1% free allyl alcohol |
| recommendation for allyl levulinate fragrance usage levels up to : |
| | not for fragrance use.
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safety references :
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| EPI System : | view |
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| | prop-2-enyl 4-oxopentanoate |
| chemidplus : | 1070-35-5 |
| EPA Substance Registry Services : | 1070-35-5 |
references :
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| | prop-2-enyl 4-oxopentanoate |
| NIST Chemistry WebBook : | 873514557 |
| pubchem : | 1070-35-5 |
other :
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| VCF-Online: | VCF Volatile Compounds in Food |