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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 |
| cas number : | 93-55-0 |
| (EINECS) number : | 202-257-6 |
| 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 (IUPAC) |
| formula : | C9 H10 O |
| BioActivity Analysis : | 80412 |
| pherobase floral: | view |
| NMR Predictor : | Predict |
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| export tariff code : | unspecified |
| fda reg : | unspecified |
Suppliers :
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| Cargill : | PROPIOPHENONE
natural, Kosher Odor: Sweet, Floral, Aromatic |
| Penta : | propiophenone
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| SAFC Global® : | Propiophenone
≥99% Odor: cherry |
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 oily liquid |
| assay : | 99.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 1.00400 to 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 to 1.53100 @ 20.00 °C.
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| melting point : | 18.00 to 20.00 °C. @ 760.00 mm Hg
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| boiling point : | 218.00 to 219.00 °C. @ 760.00 mm Hg
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| vapor pressure : | 0.17000 mm/Hg @ 25.00 °C. |
| flash point : | 210.00 °F. TCC ( 98.89 °C. )
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| logP (o/w) : | 2.19 |
safety :
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| most important hazard(s) : | Xi - Irritant |
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R 36/38 - Irritating to skin and eyes. S 02 - Keep out of the reach of children. S 24/25 - Avoid contact with skin and eyes. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36 - Wear suitable protective clothing.
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| Oral Toxicity(LD50) : | |
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Oral-Rat 4.49 ml/kg (Carpenter et al., 1974)
Intraperitoneal-Mouse 100.00 mg/kg National Technical Information Service. Vol. AD277-689
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| Dermal Toxicity(LD50) : | |
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Skin-Rabbit 4490.00 ul/kg Toxicology and Applied Pharmacology. Vol. 28, Pg. 313, 1974.
Subcutaneous-Mouse 2250.00 mg/kg Arzneimittel-Forschung. Drug Research. Vol. 5, Pg. 559, 1955.
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| Inhalation Toxicity(LC50) : | |
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Not determined
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safety in use :
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| Category : | flavor and fragrance agents |
| 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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| recommendation for propiophenone fragrance usage levels up to : |
| | 1.0000 % in the fragrance concentrate.
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safety references :
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| European Food Safety Athority(efsa) : | Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies... |
| EPI System : | view |
| NLM Hazardous Substances Data Bank : | search |
| Env. Mutagen Info. Center : | Search |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
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| WGK Germany : | 2 |
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| | 1-phenylpropan-1-one |
| (EINECS) number : | 202-257-6 |
| RTECS : | UG7175000 for cas# 93-55-0 |
| chemidplus : | 000093550 |
| EPA Substance Registry Services : | 93-55-0 |
| dtp/nci : | 16937 |
references :
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| | 1-phenylpropan-1-one |
| fl. number : | 07.040 |
| jecfa number : | 824 |
| NIST Chemistry WebBook : | 1352831354 |
| pubchem : | 150186 |
other :
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| VCF-Online: | VCF Volatile Compounds in Food |
| FDA Everything Added to Food in the United States (EAFUS) | View |