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| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
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| IUPAC name : | 1-phenylpent-4-en-1-one |
| InChI : | InChI=1/C11H12O/c1-2-3-9-11(12)10-7-5-4-6-8-10/h2,4-8H,1,3,9H2 |
| InChIKey : | KYGSYTRHCDNSGS-UHFFFAOYAM |
| SMILES : | C=CCCC(=O)C1=CC=CC=C1 |
| (EINECS) number : | 402-310-5 |
| cas number : | 3240-29-7 |
| molar refractivity : | 49.90 ± 0.3 cm3 |
| parachor : | 400.8 ± 4.0 cm3 |
| index of refraction : | 1.514 ± 0.02 |
| surface tension : | 34.3 ± 3.0 dyne/cm |
| density : | 0.967 ± 0.06 g/cm3 |
| polarizability : | 19.78 ± 0.5 10-24cm3 |
| xlogp : | 2.90 |
| molecular weight : | 160.2123800 |
| formula : | C11 H12 O |
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| fda reg : | unspecified |
h. number : | unspecified |
| organoleptics : | |
| odor type : | balsamic |
| odor strength : | medium |
odor description :
at 100.00 %. | balsam opoponax myrrh labdanum herbal lavender |
| substantivity : | 24 Hour(s) |
| properties : | |
| appearence : | colorless to pale yellow clear liquid |
| assay : | 98.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.99500 - 1.00100 @ 25.00 °C.
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| pounds per gallon - calc. : | 8.279 to 8.329
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| refractive index : | 1.52800 - 1.53300 @ 20.00 °C.
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| boiling point : | 249.00 - 250.00 °C. @ 760.00 mm Hg
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| logp : | 2.66 |
| safety : | |
| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | > 212.00 °F. TCC ( > 100.00 °C. )
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| recommendation for balsam ketone usage levels up to : |
| | 7.0000 % in the fragrance concentrate.
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| recommendation for balsam ketone usage levels up to : |
| | not for flavor use.
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| safety links : | |
| (EINECS) number : | 402-310-5 |
| chemidplus : | 003240297 |
| epa-srs : | 3240-29-7 |
| dtp/nci : | 408289 |
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| other : | |
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| references : | |
| pubchem : | 678781 |
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