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| IUPAC name : | 2-phenylethyl 2,2-dimethylpropanoate |
| InChI : | InChI=1/C13H18O2/c1-13(2,3)12(14)15-10-9-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3 |
| InChIKey : | DPVYDTACPLLHCF-UHFFFAOYAH |
| SMILES : | CC(C)(C)C(=O)OCCC1=CC=CC=C1 |
| (EINECS) number : | 266-841-2 |
| cas number : | 67662-96-8 |
| molar refractivity : | 60.70 ± 0.3 cm3 |
| parachor : | 502.6 ± 4.0 cm3 |
| index of refraction : | 1.494 ± 0.02 |
| surface tension : | 33.8 ± 3.0 dyne/cm |
| density : | 0.990 ± 0.06 g/cm3 |
| polarizability : | 24.06 ± 0.5 10-24cm3 |
| xlogp : | 2.90 |
| molecular weight : | 206.2808200 |
| formula : | C13 H18 O2 |
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| fda reg : | unspecified |
h. number : | unspecified |
| organoleptics : | |
| odor type : | floral |
| odor strength : | medium |
odor description : at 100.00 %. | rose spice rhodinol geranium blueberry |
| substantivity : | 40 Hour(s) |
| properties : | |
| appearence : | colorless clear liquid |
| assay : | 98.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.96800 - 0.97500 @ 25.00 °C.
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| pounds per gallon - calc. : | 8.055 to 8.113
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| refractive index : | 1.48000 - 1.48200 @ 20.00 °C.
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| boiling point : | 100.00 °C. @ 5.00 mm Hg
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| logp : | 3.53 |
| safety : | |
| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | > 200.00 °F. TCC ( > 93.33 °C. )
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| recommendation for phenethyl pivalate usage levels up to : |
| | 8.0000 % in the fragrance concentrate.
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| recommendation for phenethyl pivalate usage levels up to : |
| | not for flavor use.
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| safety links : | |
| (EINECS) number : | 266-841-2 |
| chemidplus : | 067662968 |
| epa-srs : | 67662-96-8 |
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| other : | |
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| references : | |
| pubchem : | 682953 |
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