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| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
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| IUPAC name : | phenylmethyl pentanoate |
| InChI : | InChI=1/C12H16O2/c1-2-3-9-12(13)14-10-11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3 |
| InChIKey : | YZJCDVRXBOPXSQ-UHFFFAOYAK |
| SMILES : | CCCCC(=O)OCC1=CC=CC=C1 |
| (EINECS) number : | 233-789-7 |
| cas number : | 10361-39-4 |
| beilstein number : | 1950456 |
| coe number : | 470 |
| fl. number : | 09.152 |
| molar refractivity : | 56.10 ± 0.3 cm3 |
| parachor : | 467.7 ± 4.0 cm3 |
| index of refraction : | 1.496 ± 0.02 |
| surface tension : | 35.3 ± 3.0 dyne/cm |
| density : | 1.002 ± 0.06 g/cm3 |
| polarizability : | 22.24 ± 0.5 10-24cm3 |
| xlogp : | 3.30 |
| molecular weight : | 192.2542400 |
| formula : | C12 H16 O2 |
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| fda reg : | unspecified |
h. number : | 2915.60.0000 |
| organoleptics : | |
| odor strength : | medium ,
recommend smelling in a 10.00 % solution or less |
odor description :
at 100.00 %. | fruity floral apple skin |
| properties : | |
| appearence : | colorless clear liquid |
| assay : | 98.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.99000 - 0.99600 @ 25.00 °C.
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| pounds per gallon - calc. : | 8.238 to 8.288
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| refractive index : | 1.48700 - 1.49300 @ 20.00 °C.
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| boiling point : | 135.00 °C. @ 30.00 mm Hg
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| boiling point : | 236.00 °C. @ 760.00 mm Hg
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| logp : | 3.52 |
| 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 benzyl valerate usage levels up to : |
| | 4.0000 % in the fragrance concentrate.
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| safety links : | |
| (EINECS) number : | 233-789-7 |
| chemidplus : | 010361394 |
| epa-srs : | 10361-39-4 |
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| other : | |
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| references : | |
| pubchem : | 659503 |
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