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| IUPAC name : | (4-methylphenyl) butanoate |
| InChI : | InChI=1/C11H14O2/c1-3-4-11(12)13-10-7-5-9(2)6-8-10/h5-8H,3-4H2,1-2H3 |
| InChIKey : | RRXBRABFDRJAPX-UHFFFAOYAT |
| SMILES : | CCCC(=O)OC1=CC=C(C=C1)C |
| cas number : | 14617-92-6 |
| (EINECS) number : | 238-654-6 |
| molar refractivity : | 51.68 ± 0.3 cm3 |
| parachor : | 426.0 ± 4.0 cm3 |
| index of refraction : | 1.497 ± 0.02 |
| surface tension : | 34.0 ± 3.0 dyne/cm |
| density : | 1.010 ± 0.06 g/cm3 |
| polarizability : | 20.48 ± 0.5 10-24cm3 |
| XlogP : | 3.10 |
| XlogP3 : | 2.90 |
| molecular weight : | 178.2276600 (IUPAC) |
| formula : | C11 H14 O2 |
| NMR Predictor : | Predict |
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| export tariff code : | 2915.60.0000 |
| fda reg : | unspecified |
Suppliers :
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| Inoue : | P-CRESYL BUTYRATE
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organoleptics :
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properties :
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| appearence : | colorless clear liquid |
| assay : | 97.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| boiling point : | 249.00 to 250.00 °C. @ 760.00 mm Hg
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| flash point : | 203.00 °F. TCC ( 95.00 °C. )
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| logP (o/w) : | 3.08 |
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 : | flavor and fragrance agents |
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safety references :
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| EPI System : | view |
| Canada Domestic Sub. List : | Yes |
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| | (4-methylphenyl) butanoate |
| (EINECS) number : | 238-654-6 |
| chemidplus : | 014617926 |
| EPA Substance Registry Services : | 14617-92-6 |
| dtp/nci : | 53053 |
references :
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| | (4-methylphenyl) butanoate |
| pubchem : | 661445 |
other :
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