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| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
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| IUPAC name : | 1-phenylpropyl butanoate |
| InChI : | InChI=1/C13H18O2/c1-3-8-13(14)15-12(4-2)11-9-6-5-7-10-11/h5-7,9-10,12H,3-4,8H2,1-2H3 |
| InChIKey : | SNUDRKNHOSAKGS-UHFFFAOYAI |
| SMILES : | CCCC(=O)OC(CC)C1=CC=CC=C1 |
| (EINECS) number : | 233-094-9 |
| cas number : | 10031-86-4 |
| fema number : | 2424 |
| coe number : | 628 |
| jecfa number : | 823 |
| fl. number : | 09.189 |
| molar refractivity : | 60.74 ± 0.3 cm3 |
| parachor : | 506.1 ± 4.0 cm3 |
| index of refraction : | 1.493 ± 0.02 |
| surface tension : | 34.3 ± 3.0 dyne/cm |
| density : | 0.986 ± 0.06 g/cm3 |
| polarizability : | 24.08 ± 0.5 10-24cm3 |
| xlogp : | 3.70 |
| molecular weight : | 206.2808200 |
| formula : | C13 H18 O2 |
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| fda reg : | 172.515 |
h. number : | 2915.60.0000 |
| organoleptics : | |
| odor type : | floral |
| odor strength : | medium |
odor description :
at 100.00 %. | fruity floral jasmin apricot plum |
| properties : | |
| appearence : | colorless to pale yellow clear liquid |
| assay : | 97.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.99050 @ 25.00 °C.
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| refractive index : | 1.48950 @ 20.00 °C.
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| boiling point : | 282.00 °C. @ 760.00 mm Hg
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| boiling point : | 146.00 - 148.00 °C. @ 15.00 mm Hg
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| acid value : | 1.00 max. KOH/g
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| logp : | 3.87 |
| safety : | |
| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | 208.00 °F. TCC ( 97.78 °C. )
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| recommendation for 1-phenyl propyl butyrate usage levels up to : |
| | 3.0000 % in the fragrance concentrate.
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| recommendation for 1-phenyl propyl butyrate usage levels up to : |
| | 1.0000 ppm in the flavor.
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| safety links : | |
| (EINECS) number : | 233-094-9 |
| chemidplus : | 010031864 |
| epa-srs : | 10031-86-4 |
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| other : | |
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| references : | |
| pubchem : | 197704 |
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