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| IUPAC name : | pentyl 2-phenylacetate |
| InChI : | InChI=1/C13H18O2/c1-2-3-7-10-15-13(14)11-12-8-5-4-6-9-12/h4-6,8-9H,2-3,7,10-11H2,1H3 |
| InChIKey : | LRVLBFSVAFUOGO-UHFFFAOYAP |
| SMILES : | CCCCCOC(=O)CC1=CC=CC=C1 |
| (EINECS) number : | 225-895-7 |
| cas number : | 5137-52-0 |
| coe number : | 612 |
| fl. number : | 09.761 |
| 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 : | 3.70 |
| molecular weight : | 206.2808200 |
| formula : | C13 H18 O2 |
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| fda reg : | unspecified |
h. number : | 2916.35.1500 |
| organoleptics : | |
| odor type : | balsamic |
| odor strength : | medium ,
recommend smelling in a 10.00 % solution or less |
odor description :
at 10.00 % in dipropylene glycol. | balsam chocolate animal tobacco |
| properties : | |
| appearence : | colorless to pale yellow clear liquid |
| assay : | 98.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.98200 - 0.98300 @ 25.00 °C.
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| pounds per gallon - calc. : | 8.171 to 8.180
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| boiling point : | 265.00 °C. @ 760.00 mm Hg
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| logp : | 4.09 |
| safety : | |
| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | 224.00 °F. TCC ( 106.67 °C. )
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| recommendation for amyl phenyl acetate usage levels up to : |
| | 5.0000 % in the fragrance concentrate.
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| safety links : | |
| (EINECS) number : | 225-895-7 |
| chemidplus : | 005137520 |
| epa-srs : | 5137-52-0 |
| dtp/nci : | 46135 |
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| other : | |
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| references : | |
| pubchem : | 675786 |
| NIST Chemistry WebBook : | 599412006 |
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