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| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
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| IUPAC name : | phenylmethyl octanoate |
| InChI : | InChI=1/C15H22O2/c1-2-3-4-5-9-12-15(16)17-13-14-10-7-6-8-11-14/h6-8,10-11H,2-5,9,12-13H2,1H3 |
| InChIKey : | MWQWCHLIPMDVLS-UHFFFAOYAV |
| SMILES : | CCCCCCCC(=O)OCC1=CC=CC=C1 |
| (EINECS) number : | 233-620-7 |
| cas number : | 10276-85-4 |
| fl. number : | 09.318 |
| 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 : | 5.00 |
| molecular weight : | 234.3339800 |
| formula : | C15 H22 O2 |
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| fda reg : | unspecified |
h. number : | unspecified |
| organoleptics : | |
| odor strength : | medium |
odor description :
at 100.00 %. | herbal fatty fruity peach pineapple |
| properties : | |
| appearence : | colorless clear liquid |
| assay : | 95.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.96000 - 0.96600 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.988 to 8.038
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| refractive index : | 1.48400 - 1.49000 @ 20.00 °C.
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| boiling point : | 310.00 - 311.00 °C. @ 760.00 mm Hg
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| logp : | 5.12 |
| safety : | |
| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | 226.00 °F. TCC ( 107.78 °C. )
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| recommendation for benzyl octanoate usage levels up to : |
| | 8.0000 % in the fragrance concentrate.
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| safety links : | |
| (EINECS) number : | 233-620-7 |
| chemidplus : | 010276854 |
| epa-srs : | 10276-85-4 |
| dtp/nci : | 23754 |
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| other : | |
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| references : | |
| fl. number : | 09.318 |
| pubchem : | 659431 |
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