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| IUPAC name : | 2-phenylethyl heptanoate |
| InChI : | InChI=1/C15H22O2/c1-2-3-4-8-11-15(16)17-13-12-14-9-6-5-7-10-14/h5-7,9-10H,2-4,8,11-13H2,1H3 |
| InChIKey : | YMPDQHXHLKFWNN-UHFFFAOYAQ |
| SMILES : | CCCCCCC(=O)OCCC1=CC=CC=C1 |
| (EINECS) number : | 226-701-3 |
| cas number : | 5454-11-5 |
| molar refractivity : | 70.00 ± 0.3 cm3 |
| parachor : | 587.0 ± 4.0 cm3 |
| index of refraction : | 1.492 ± 0.02 |
| surface tension : | 35.0 ± 3.0 dyne/cm |
| density : | 0.971 ± 0.06 g/cm3 |
| polarizability : | 27.75 ± 0.5 10-24cm3 |
| xlogp : | 4.60 |
| molecular weight : | 234.3339800 |
| formula : | C15 H22 O2 |
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| fda reg : | unspecified |
h. number : | unspecified |
| organoleptics : | |
| odor type : | floral |
| odor strength : | medium |
odor description :
at 100.00 %. | rose apricot |
| properties : | |
| appearence : | colorless to pale yellow clear liquid |
| assay : | 98.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 1.03400 @ 25.00 °C.
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| refractive index : | 1.48050 @ 25.00 °C.
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| boiling point : | 321.00 - 322.00 °C. @ 760.00 mm Hg
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| logp : | 4.96 |
| safety : | |
| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | 237.00 °F. TCC ( 113.89 °C. )
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| recommendation for phenethyl heptanoate usage levels up to : |
| | 8.0000 % in the fragrance concentrate.
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| safety links : | |
| (EINECS) number : | 226-701-3 |
| chemidplus : | 005454115 |
| epa-srs : | 5454-11-5 |
| dtp/nci : | 23063 |
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| other : | |
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| references : | |
| pubchem : | 656556 |
| NIST Chemistry WebBook : | 3406316500 |
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