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| IUPAC name : | 1-(4-methoxyphenyl)pent-1-en-3-one |
| InChI : | InChI=1/C12H14O2/c1-3-11(13)7-4-10-5-8-12(14-2)9-6-10/h4-9H,3H2,1-2H3 |
| InChIKey : | SLDQOBRACOQXGE-UHFFFAOYAG |
| SMILES : | CCC(=O)C=CC1=CC=C(C=C1)OC |
| cas number : | 104-27-8 |
| (EINECS) number : | 203-190-5 |
| beilstein number : | 3197137 |
| fema number : | 2673 |
| coe number : | 164 |
| jecfa number : | 826 |
| fl. number : | 07.030 |
| molar refractivity : | 58.11 ± 0.3 cm3 |
| parachor : | 451.5 ± 4.0 cm3 |
| index of refraction : | 1.542 ± 0.02 |
| surface tension : | 35.8 ± 3.0 dyne/cm |
| density : | 1.030 ± 0.06 g/cm3 |
| polarizability : | 23.03 ± 0.5 10-24cm3 |
| XlogP : | 2.30 |
| molecular weight : | 190.2383600 (IUPAC) |
| formula : | C12 H14 O2 |
| NMR Predictor : | Predict |
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| IUPAC name : | (E)-1-(4-methoxyphenyl)pent-1-en-3-one |
| InChI : | InChI=1/C12H14O2/c1-3-11(13)7-4-10-5-8-12(14-2)9-6-10/h4-9H,3H2,1-2H3/b7-4+ |
| InChIKey : | SLDQOBRACOQXGE-QPJJXVBHBM |
| SMILES : | CCC(=O)\C=C\C1=CC=C(C=C1)OC |
| cas number : | 104-27-8 (E) |
| molar refractivity : | 58.11 ± 0.3 cm3 |
| parachor : | 451.5 ± 4.0 cm3 |
| index of refraction : | 1.542 ± 0.02 |
| surface tension : | 35.8 ± 3.0 dyne/cm |
| density : | 1.030 ± 0.06 g/cm3 |
| polarizability : | 23.03 ± 0.5 10-24cm3 |
| XlogP : | 2.30 |
| molecular weight : | 190.2383600 (IUPAC) |
| formula : | C12 H14 O2 |
| NMR Predictor : | Predict |
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| export tariff code : | unspecified |
| fda reg : | 172.515 |
Suppliers :
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| Fontarome : | ETHONE 1-(P-METHOXYPHENYL)-1-PENTEN-3-ONE
Odor: Odor similar to butter, sweet and lasting |
| Hofmen : | Anisylidene butanone
99% |
| Penta : | ethone
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| Vigon : | Ethone
FCC Odor: SHARP, DRY, SLIGHTLY BUTTERY |
organoleptics :
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| odor type : | powdery |
| odor strength : | medium , recommend smelling in a 10.00 % solution or less |
odor description: at 10.00 % in dipropylene glycol. | dry sweet powdery cherry fruity heliotrope almond anisic vanilla Luebke, William tgsc, (2009) |
| odor sample from : | Fontarome USA |
odor description:
| Sweet, powdery, cherry, vanilla, coumarin, heliotropine Mosciano, Gerard P&F 23, No. 5, 49, (1998) |
taste description:
| Sweet, powdery, vanilla, fruity, creamy Mosciano, Gerard P&F 23, No. 5, 49, (1998) |
properties :
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| appearence : | white to pale yellow crystalline powder |
| assay : | 98.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| melting point : | 60.00 °C. @ 760.00 mm Hg
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| boiling point : | 278.00 °C. @ 760.00 mm Hg
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| boiling point : | 74.00 °C. @ 10.00 mm Hg
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| flash point : | 304.00 °F. TCC ( 151.11 °C. )
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| logP (o/w) : | 2.65 |
safety :
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| most important hazard(s) : | Xi - Irritant |
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R 36/37/38 - Irritating to eyes, respiratory system, and skin. 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 37/39 - Wear suitable gloves and eye/face protection.
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| Human experience : | 8 % solution: no irritation or sensitization. |
| Oral Toxicity(LD50) : | |
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Oral-Rat >5.00 gm/kg
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| Dermal Toxicity(LD50) : | |
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Skin-Rabbit >5.00 gm/kg
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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 : | flavoring agents |
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| IFRA critical Effect : | Sensitization |
| recommendation for powdery ketone fragrance usage levels up to : |
| | PROHIBITED : Should not be used as a fragrance ingredient.
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| recommendation for powdery ketone flavor usage levels up to : |
| | 30.0000 ppm in the flavor.
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safety references :
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| EPI System : | view |
| IFRA : | IFRA - ( Found under : alpha-Methyl anisylidene acetone ) |
| Env. Mutagen Info. Center : | Search |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
| SCCNFP : | opinion |
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| WGK Germany : | 2 |
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| | 1-(4-methoxyphenyl)pent-1-en-3-one |
| (EINECS) number : | 203-190-5 |
| chemidplus : | 000104278 |
| EPA Substance Registry Services : | 104-27-8 |
| dtp/nci : | 133448 |
| | (E)-1-(4-methoxyphenyl)pent-1-en-3-one |
references :
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| | 1-(4-methoxyphenyl)pent-1-en-3-one |
| fl. number : | 07.030 |
| jecfa number : | 826 |
| pubchem : | 422451 |
| | (E)-1-(4-methoxyphenyl)pent-1-en-3-one |
| pubchem : | 197231 |
Cosmetics :
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| Cosmetic uses : |
not used anymore
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other :
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| CosIng : | cosmetic data |
| RIFM : | listed |
| FMA : | listed |
| FDA Everything Added to Food in the United States (EAFUS) | View |