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| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
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| IUPAC name : | 3-(3-propan-2-ylphenyl)butanal |
| InChI : | InChI=1/C13H18O/c1-10(2)12-5-4-6-13(9-12)11(3)7-8-14/h4-6,8-11H,7H2,1-3H3 |
| InChIKey : | OHRBQTOZYGEWCJ-UHFFFAOYAR |
| SMILES : | CC(C)C1=CC(=CC=C1)C(C)CC=O |
| eu annex : | 605-028-00-2 |
| cas number : | 125109-85-5 |
| molar refractivity : | 59.44 ± 0.3 cm3 |
| parachor : | 486.0 ± 4.0 cm3 |
| index of refraction : | 1.496 ± 0.02 |
| surface tension : | 32.5 ± 3.0 dyne/cm |
| density : | 0.935 ± 0.06 g/cm3 |
| polarizability : | 23.56 ± 0.5 10-24cm3 |
| xlogp : | 3.90 |
| molecular weight : | 190.2814200 |
| formula : | C13 H18 O |
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| fda reg : | unspecified |
h. number : | unspecified |
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| organoleptics : | |
| odor type : | floral |
| odor strength : | medium |
odor description :
at 100.00 %. | floral green muguet fresh |
| substantivity : | 144 Hour(s) |
| properties : | |
| appearence : | colorless to pale yellow clear liquid |
| assay : | 98.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| boiling point : | 251.00 - 252.00 °C. @ 760.00 mm Hg
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| logp : | 3.72 |
| safety : | |
| most important hazard(s) : |
N - Dangerous for the environment. |
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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. ) : | 154.00 °F. TCC ( 67.78 °C. )
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| recommendation for floral butanal usage levels up to : |
| | 2.0000 % in the fragrance concentrate.
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| recommendation for floral butanal usage levels up to : |
| | not for flavor use.
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| safety links : | |
| chemidplus : | 125109855 |
| epa-srs : | 125109-85-5 |
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| other : | |
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| references : | |
| pubchem : | 663071 |
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