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| IUPAC name : | 4-phenylbutan-2-one |
| InChI : | InChI=1/C10H12O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3 |
| InChIKey : | AKGGYBADQZYZPD-UHFFFAOYAH |
| SMILES : | CC(=O)CCC1=CC=CC=C1 |
| (EINECS) number : | 219-847-4 |
| cas number : | 2550-26-7 |
| beilstein number : | 1907123 |
| coe number : | 11182 |
| fl. number : | 07.194 |
| molar refractivity : | 45.09 ± 0.3 cm3 |
| parachor : | 368.5 ± 4.0 cm3 |
| index of refraction : | 1.503 ± 0.02 |
| surface tension : | 34.1 ± 3.0 dyne/cm |
| density : | 0.972 ± 0.06 g/cm3 |
| polarizability : | 17.87 ± 0.5 10-24cm3 |
| xlogp : | 1.90 |
| molecular weight : | 148.2016800 |
| formula : | C10 H12 O |
| BioActivity Analysis : | 67690 |
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| fda reg : | unspecified |
h. number : | 2914.39.9000 |
| organoleptics : | |
| odor type : | floral |
| odor strength : | medium |
odor description :
at 100.00 %. | floral jasmin herbal fruity balsam |
| substantivity : | 172 Hour(s) |
| properties : | |
| appearence : | yellow crystals |
| assay : | 99.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.98900 @ 22.00 °C.
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| refractive index : | 1.51220 @ 20.00 °C.
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| boiling point : | 235.00 °C. @ 760.00 mm Hg
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| boiling point : | 115.00 °C. @ 13.00 mm Hg
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| logp : | 1.96 |
| safety : | |
| Oral Toxicity(LD50) : |
Oral-Rat 3200.00 mg/kg
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| Dermal Toxicity(LD50) : |
Skin-Rabbit >5.00 gm/kg
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| flash point ( Deg. F. ) : | 208.00 °F. TCC ( 97.78 °C. )
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| recommendation for benzyl acetone usage levels up to : |
| | 2.0000 % in the fragrance concentrate.
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| recommendation for benzyl acetone usage levels up to : |
| | not for flavor use.
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| safety links : | |
| (EINECS) number : | 219-847-4 |
| chemidplus : | 002550267 |
| epa-srs : | 2550-26-7 |
| dtp/nci : | 813 |
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| other : | |
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| references : | |
| fl. number : | 07.194 |
| pubchem : | 160529 |
| NIST Chemistry WebBook : | 1338551544 |
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