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| IUPAC name : | 1-phenylpropan-1-one |
| InChI : | InChI=1/C9H10O/c1-2-9(10)8-6-4-3-5-7-8/h3-7H,2H2,1H3 |
| InChIKey : | KRIOVPPHQSLHCZ-UHFFFAOYAT |
| SMILES : | CCC(=O)C1=CC=CC=C1 |
| (EINECS) number : | 202-257-6 |
| cas number : | 93-55-0 |
| beilstein number : | 0606215 |
| fema number : | 3469 |
| coe number : | 599 |
| jecfa number : | 824 |
| fl. number : | 07.040 |
| molar refractivity : | 40.91 ± 0.3 cm3 |
| parachor : | 332.2 ± 4.0 cm3 |
| index of refraction : | 1.507 ± 0.02 |
| surface tension : | 34.1 ± 3.0 dyne/cm |
| density : | 0.976 ± 0.06 g/cm3 |
| polarizability : | 16.21 ± 0.5 10-24cm3 |
| xlogp : | 2.10 |
| molecular weight : | 134.1751000 |
| formula : | C9 H10 O |
| BioActivity Analysis : | 80412 |
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| export tariff code : | unspecified |
| fda reg : | unspecified |
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Suppliers :
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| Cargill - Alfrebro : | PROPIOPHENONE |
| | natural, Kosher |
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| Sigma-Aldrich-SAFC : | Propiophenone |
| | ≥99% |
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organoleptics :
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| odor type : | floral |
| odor strength : | medium , recommend smelling in a 10.00 % solution or less |
odor description : at 10.00 % in dipropylene glycol. | hawthorn lilac |
properties :
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| appearence : | colorless clear liquid |
| assay : | 99.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 1.00400 - 1.01400 @ 25.00 °C.
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| pounds per gallon - calc. : | 8.354 to 8.437
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| refractive index : | 1.52100 - 1.53100 @ 20.00 °C.
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| melting point : | 18.00 - 19.00 °C. @ 760.00 mm Hg
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| boiling point : | 218.00 - 219.00 °C. @ 760.00 mm Hg
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| logp : | 2.19 |
safety :
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| Oral Toxicity(LD50) : |
Oral-Rat 4.49 ml/kg (Carpenter et al., 1974)
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| Dermal Toxicity(LD50) : |
Skin-Rabbit 4490.00 ul/kg
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| Maximised Survey-derived Daily Intakes (MSDI-EU) : | 0.012 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) : | 0.03 (μg/capita/day) |
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| flash point ( Deg. F. ) : | 210.00 °F. TCC ( 98.89 °C. )
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| recommendation for propiophenone usage levels up to : |
| | 1.0000 % in the fragrance concentrate.
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safety links :
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| (EINECS) number : | 202-257-6 |
| rtecs : | UG7175000 for 93-55-0 |
| chemidplus : | 000093550 |
| epa-srs : | 93-55-0 |
| dtp/nci : | 16937 |
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other :
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references :
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| jecfa number : | 824 |
| fl. number : | 07.040 |
| pubchem : | 150186 |
| NIST Chemistry WebBook : | 1352831354 |
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