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| IUPAC name : | (2-methyl-1-phenylpropan-2-yl) 2-methylpropanoate |
| InChI : | InChI=1/C14H20O2/c1-11(2)13(15)16-14(3,4)10-12-8-6-5-7-9-12/h5-9,11H,10H2,1-4H3 |
| InChIKey : | KOEHGIXXSWVEPT-UHFFFAOYAD |
| SMILES : | CC(C)C(=O)OC(C)(C)CC1=CC=CC=C1 |
| (EINECS) number : | 261-715-3 |
| cas number : | 59354-71-1 |
| molar refractivity : | 65.29 ± 0.3 cm3 |
| parachor : | 539.7 ± 4.0 cm3 |
| index of refraction : | 1.491 ± 0.02 |
| surface tension : | 33.0 ± 3.0 dyne/cm |
| density : | 0.978 ± 0.06 g/cm3 |
| polarizability : | 25.88 ± 0.5 10-24cm3 |
| xlogp : | 3.50 |
| molecular weight : | 220.3074000 |
| formula : | C14 H20 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 %. | fruity raisin jasmin cassis jam |
| properties : | |
| appearence : | colorless to pale yellow clear liquid |
| assay : | 96.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.95900 - 0.96700 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.980 to 8.046
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| specific gravity : | 0.96000 - 0.96800 @ 20.00 °C.
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| pounds per gallon - calc. : | 7.997 to 8.064
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| refractive index : | 1.48100 - 1.48500 @ 20.00 °C.
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| boiling point : | 286.00 - 287.00 °C. @ 760.00 mm Hg
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| logp : | 3.88 |
| 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 dimethyl benzyl carbinyl isobutyrate usage levels up to : |
| | 5.0000 % in the fragrance concentrate.
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| recommendation for dimethyl benzyl carbinyl isobutyrate usage levels up to : |
| | not for flavor use.
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| safety links : | |
| (EINECS) number : | 261-715-3 |
| chemidplus : | 059354711 |
| epa-srs : | 59354-71-1 |
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| other : | |
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| references : | |
| pubchem : | 678431 |
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