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| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
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| IUPAC name : | 2-phenylpropan-2-yl 2-methylpropanoate |
| InChI : | InChI=1/C13H18O2/c1-10(2)12(14)15-13(3,4)11-8-6-5-7-9-11/h5-10H,1-4H3 |
| InChIKey : | LQOHUFIIIKBPQC-UHFFFAOYAK |
| SMILES : | CC(C)C(=O)OC(C)(C)C1=CC=CC=C1 |
| (EINECS) number : | 231-876-4 |
| cas number : | 7774-60-9 |
| fema number : | 2388 |
| coe number : | 11828 |
| jecfa number : | 1657 |
| fl. number : | 09.509 |
| molar refractivity : | 60.27 ± 0.3 cm3 |
| parachor : | 496.7 ± 4.0 cm3 |
| index of refraction : | 1.487 ± 0.02 |
| surface tension : | 31.6 ± 3.0 dyne/cm |
| density : | 0.984 ± 0.06 g/cm3 |
| polarizability : | 23.89 ± 0.5 10-24cm3 |
| xlogp : | 3.10 |
| molecular weight : | 206.2808200 |
| formula : | C13 H18 O2 |
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| fda reg : | unspecified |
h. number : | 2915.60.0000 |
| organoleptics : | |
| odor type : | fruity |
| odor strength : | medium |
odor description :
at 100.00 %. | sweet fruity apricot peach plum green dry |
| properties : | |
| appearence : | colorless clear liquid |
| assay : | 98.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| boiling point : | 259.00 - 260.00 °C. @ 760.00 mm Hg
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| logp : | 3.51 |
| safety : | |
| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | 199.00 °F. TCC ( 92.78 °C. )
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| recommendation for alpha,alpha-dimethyl benzyl isobutyrate usage levels up to : |
| | 8.0000 % in the fragrance concentrate.
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| recommendation for alpha,alpha-dimethyl benzyl isobutyrate usage levels up to : |
| | 40.0000 ppm in the flavor.
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| safety links : | |
| (EINECS) number : | 231-876-4 |
| chemidplus : | 007774609 |
| epa-srs : | 7774-60-9 |
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| other : | |
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| references : | |
| jecfa number : | 1657 |
| fl. number : | 09.509 |
| pubchem : | 204185 |
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