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| IUPAC name : | phenylmethyl 3-oxobutanoate |
| InChI : | InChI=1/C11H12O3/c1-9(12)7-11(13)14-8-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3 |
| InChIKey : | WOFAGNLBCJWEOE-UHFFFAOYAQ |
| SMILES : | CC(=O)CC(=O)OCC1=CC=CC=C1 |
| (EINECS) number : | 226-416-4 |
| cas number : | 5396-89-4 |
| fema number : | 2136 |
| coe number : | 244 |
| jecfa number : | 848 |
| fl. number : | 09.406 |
| molar refractivity : | 51.50 ± 0.3 cm3 |
| parachor : | 433.0 ± 4.0 cm3 |
| index of refraction : | 1.509 ± 0.02 |
| surface tension : | 39.8 ± 3.0 dyne/cm |
| density : | 1.115 ± 0.06 g/cm3 |
| polarizability : | 20.41 ± 0.5 10-24cm3 |
| xlogp : | 2.00 |
| molecular weight : | 192.2111800 |
| formula : | C11 H12 O3 |
| BioActivity Analysis : | 70688 |
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| fda reg : | 172.515 |
h. number : | 2915.39.9050 |
| organoleptics : | |
| odor type : | floral |
| odor strength : | medium |
odor description :
at 100.00 %. | sweet benzyl propionate and acetate floral fruity |
| substantivity : | 24 Hour(s) |
| properties : | |
| appearence : | colorless clear oily liquid |
| assay : | 97.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 1.10900 - 1.11600 @ 25.00 °C.
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| pounds per gallon - calc. : | 9.228 to 9.286
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| refractive index : | 1.50900 - 1.51500 @ 20.00 °C.
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| melting point : | 162.00 - 164.00 °C. @ 16.00 mm Hg
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| boiling point : | 156.00 - 159.00 °C. @ 10.00 mm Hg
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| logp : | 2.03 |
| safety : | |
| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | > 230.00 °F. TCC ( > 110.00 °C. )
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| recommendation for benzyl acetoacetate usage levels up to : |
| | 10.0000 % in the fragrance concentrate.
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| recommendation for benzyl acetoacetate usage levels up to : |
| | 50.0000 ppm in the flavor.
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| safety links : | |
| (EINECS) number : | 226-416-4 |
| chemidplus : | 005396894 |
| epa-srs : | 5396-89-4 |
| dtp/nci : | 4391 |
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| other : | |
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| references : | |
| pubchem : | 204048 |
| NIST Chemistry WebBook : | 2744353135 |
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