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| IUPAC name : | 3-phenylbutanal |
| InChI : | InChI=1/C10H12O/c1-9(7-8-11)10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3 |
| InChIKey : | MYHGOWDLVRDUFA-UHFFFAOYAA |
| SMILES : | CC(CC=O)C1=CC=CC=C1 |
| (EINECS) number : | 240-362-9 |
| cas number : | 16251-77-7 |
| molar refractivity : | 45.25 ± 0.3 cm3 |
| parachor : | 370.9 ± 4.0 cm3 |
| index of refraction : | 1.502 ± 0.02 |
| surface tension : | 34.2 ± 3.0 dyne/cm |
| density : | 0.966 ± 0.06 g/cm3 |
| polarizability : | 17.94 ± 0.5 10-24cm3 |
| xlogp : | 2.50 |
| molecular weight : | 148.2016800 |
| formula : | C10 H12 O |
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| export tariff code : | unspecified |
| fda reg : | unspecified |
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organoleptics :
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| odor type : | green |
| odor strength : | high , recommend smelling in a 10.00 % solution or less |
odor description : at 10.00 % in dipropylene glycol. | powerful foliage green hyacinth |
| substantivity : | 400 Hour(s) |
properties :
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| appearence : | colorless clear liquid |
| assay : | 96.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.98000 - 1.05000 @ 25.00 °C.
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| pounds per gallon - calc. : | 8.155 to 8.737
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| refractive index : | 1.50500 - 1.52500 @ 20.00 °C.
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| boiling point : | 70.00 °C. @ 1.00 mm Hg
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| acid value : | 5.00 max. KOH/g
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| logp : | 2.38 |
safety :
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| most important hazard(s) : |
Xi - Irritant |
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| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | 170.00 °F. TCC ( 76.67 °C. )
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| recommendation for hyacinth butanal usage levels up to : |
| | 2.0000 % in the fragrance concentrate.
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| recommendation for hyacinth butanal usage levels up to : |
| | not for flavor use.
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safety links :
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| (EINECS) number : | 240-362-9 |
| chemidplus : | 016251777 |
| epa-srs : | 16251-77-7 |
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other :
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references :
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| pubchem : | 662842 |
| NIST Chemistry WebBook : | 1738171936 |
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