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| IUPAC name : | 3-methyl-5-phenylpentanal |
| InChI : | InChI=1/C12H16O/c1-11(9-10-13)7-8-12-5-3-2-4-6-12/h2-6,10-11H,7-9H2,1H3 |
| InChIKey : | DFJMIMVMOIFPQG-UHFFFAOYAX |
| SMILES : | CC(CCC1=CC=CC=C1)CC=O |
| (EINECS) number : | 433-900-0 |
| cas number : | 55066-49-4 |
| molar refractivity : | 54.47 ± 0.3 cm3 |
| parachor : | 448.2 ± 4.0 cm3 |
| index of refraction : | 1.497 ± 0.02 |
| surface tension : | 34.0 ± 3.0 dyne/cm |
| density : | 0.947 ± 0.06 g/cm3 |
| polarizability : | 21.59 ± 0.5 10-24cm3 |
| xlogp : | 3.70 |
| molecular weight : | 176.2548400 |
| formula : | C12 H16 O |
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| fda reg : | unspecified |
h. number : | unspecified |
| organoleptics : | |
| odor type : | aldehydic |
| odor strength : | medium |
odor description :
at 100.00 %. | aldehydic lily green fresh waxy woody |
| substantivity : | 184 Hour(s) |
| properties : | |
| appearence : | colorless clear liquid |
| assay : | 97.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.96000 - 0.96500 @ 20.00 °C.
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| pounds per gallon - calc. : | 7.997 to 8.039
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| refractive index : | 1.50500 - 1.50700 @ 20.00 °C.
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| boiling point : | 121.00 - 123.00 °C. @ 14.00 mm Hg
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| logp : | 3.27 |
| 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 lily pentanal usage levels up to : |
| | 3.0000 % in the fragrance concentrate.
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| recommendation for lily pentanal usage levels up to : |
| | not for flavor use.
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| safety links : | |
| (EINECS) number : | 433-900-0 |
| chemidplus : | 055066494 |
| epa-srs : | 55066-49-4 |
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| other : | |
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| references : | |
| pubchem : | 685668 |
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