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| IUPAC name : | 2-phenylethyl pentanoate |
| InChI : | InChI=1/C13H18O2/c1-2-3-9-13(14)15-11-10-12-7-5-4-6-8-12/h4-8H,2-3,9-11H2,1H3 |
| InChIKey : | PDGPIBIURNPBSE-UHFFFAOYAX |
| SMILES : | CCCCC(=O)OCCC1=CC=CC=C1 |
| (EINECS) number : | 231-246-9 |
| cas number : | 7460-74-4 |
| coe number : | 673 |
| fl. number : | 09.201 |
| molar refractivity : | 60.74 ± 0.3 cm3 |
| parachor : | 507.5 ± 4.0 cm3 |
| index of refraction : | 1.495 ± 0.02 |
| surface tension : | 35.2 ± 3.0 dyne/cm |
| density : | 0.990 ± 0.06 g/cm3 |
| polarizability : | 24.07 ± 0.5 10-24cm3 |
| xlogp : | 3.50 |
| molecular weight : | 206.2808200 |
| formula : | C13 H18 O2 |
| BioActivity Analysis : | 474442 |
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| fda reg : | unspecified |
h. number : | 2915.60.0000 |
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| organoleptics : | |
| odor type : | floral |
| odor strength : | medium |
odor description :
at 100.00 %. | fruity rose leaf |
| properties : | |
| appearence : | colorless to pale yellow clear liquid |
| assay : | 95.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.98320 @ 15.00 °C.
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| boiling point : | 268.00 °C. @ 760.00 mm Hg
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| boiling point : | 132.00 - 134.00 °C. @ 10.00 mm Hg
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| logp : | 3.89 |
| safety : | |
| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | 233.00 °F. TCC ( 111.67 °C. )
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| recommendation for 2-phenethyl valerate usage levels up to : |
| | 8.0000 % in the fragrance concentrate.
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| safety links : | |
| (EINECS) number : | 231-246-9 |
| chemidplus : | 007460744 |
| epa-srs : | 7460-74-4 |
| dtp/nci : | 404213 |
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| other : | |
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| references : | |
| fl. number : | 09.201 |
| pubchem : | 658888 |
| NIST Chemistry WebBook : | 1811251967 |
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