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| IUPAC name : | 3-phenylpropan-1-ol |
| InChI : | InChI=1/C9H12O/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2 |
| InChIKey : | VAJVDSVGBWFCLW-UHFFFAOYAH |
| SMILES : | C1=CC=C(C=C1)CCCO |
| (EINECS) number : | 204-587-6 |
| cas number : | 122-97-4 |
| beilstein number : | 1857542 |
| fema number : | 2885 |
| coe number : | 80 |
| jecfa number : | 636 |
| fl. number : | 02.031 |
| molar refractivity : | 41.96 ± 0.3 cm3 |
| parachor : | 340.3 ± 4.0 cm3 |
| index of refraction : | 1.528 ± 0.02 |
| surface tension : | 38.9 ± 3.0 dyne/cm |
| density : | 0.999 ± 0.06 g/cm3 |
| polarizability : | 16.63 ± 0.5 10-24cm3 |
| xlogp : | 1.70 |
| molecular weight : | 136.1909800 |
| formula : | C9 H12 O |
| BioActivity Analysis : | 80417 |
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| fda reg : | 172.515 |
h. number : | 2906.29.0000 |
| organoleptics : | |
| odor type : | balsamic |
| odor strength : | medium |
odor description : at 100.00 %. | sweet spicy cinnamyl mignonette hyacinth balsam |
| taste description³ : | at 20.00 ppm. Spicy, cinnamon, balsamic, fruity, winey and honey-like with floral nuances |
| substantivity : | 152 Hour(s) |
| properties : | |
| appearence : | colorless clear oily liquid |
| assay : | 98.00 - 100.00 %
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| Food Chemicals Codex Listed : | Yes |
| specific gravity : | 0.99800 - 1.00000 @ 25.00 °C.
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| pounds per gallon - calc. : | 8.304 to 8.321
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| refractive index : | 1.52400 - 1.52800 @ 20.00 °C.
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| melting point : | -18.00 - -17.00 °C. @ 760.00 mm Hg
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| boiling point : | 235.00 - 236.00 °C. @ 760.00 mm Hg
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| boiling point : | 145.00 - 146.00 °C. @ 50.00 mm Hg
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| logp : | 1.88 |
| shelf life : | 24.00 month(s) or longer if stored properly. |
| storage : | store in cool, dry place in tightly sealed containers, protected from heat and light. |
| safety : | |
| most important hazard(s) : |
Xi - Irritant |
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| Oral Toxicity(LD50) : |
Oral-Rat 2300.00 mg/kg FCTXAV 17,893,1979
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| Dermal Toxicity(LD50) : |
Skin-Rabbit >5.00 gm/kg FCTXAV 17,893,1979
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| flash point ( Deg. F. ) : | 229.00 °F. TCC ( 109.44 °C. )
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| recommendation for 3-phenyl propyl alcohol usage levels up to : |
| | 8.0000 % in the fragrance concentrate.
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| recommendation for 3-phenyl propyl alcohol usage levels up to : |
| | 20.0000 ppm in the flavor.
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| safety links : | |
| msds : | msds |
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| (EINECS) number : | 204-587-6 |
| rtecs : | UB8970000 for 122-97-4 |
| chemidplus : | 000122974 |
| epa-srs : | 122-97-4 |
| dtp/nci : | 16942 |
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| other : | |
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C of A
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| references : | |
| pubchem : | 173270 |
| NIST Chemistry WebBook : | 2373386549 |
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| reference : | Mosciano, Gerard P&F 20, No. 6, 49, (1995)³ |