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| IUPAC name : | 3-ethoxy-4-hydroxybenzaldehyde; 2-methylpropanoate |
| InChI : | InChI=1/C9H10O3.C4H8O2/c1-2-12-9-5-7(6-10)3-4-8(9)11;1-3(2)4(5)6/h3-6,11H,2H2,1H3;3H,1-2H3,(H,5,6)/p-1/fC9H10O3.C4H7O2/q;-1 |
| InChIKey : | RWLGWACAEOZMIO-SZDRPAAPCZ |
| SMILES : | CCOC1=C(C=CC(=C1)C=O)O.CC(C)C(=O)[O-] |
| cas number : | 188417-26-7 |
| fema number : | 3837 |
| jecfa number : | 953 |
| fl. number : | 09.933 |
| XlogP : | -1.00 |
| molecular weight : | 253.2710800 (IUPAC) |
| formula : | C13 H17 O5 |
| NMR Predictor : | Predict |
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| export tariff code : | unspecified |
| fda reg : | unspecified |
Suppliers :
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| Need This Molecule?: | You can contact the Chemical Sources Association and ask the Sourceress. |
organoleptics :
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| odor type : | vanilla |
| odor strength : | medium |
odor description: at 100.00 %. | sweet creamy vanilla chocolate milk |
odor description: at 1.00 %. | Intense sweet, creamy, vanilla with vanilla ice cream and chocolate milky nuances. The dry out is slightly caramellic and rumy Mosciano, Gerard P&F 25, No. 4, 71, (2000) |
taste description: at 5.00 - 10.00 ppm. | Sweet creamy vanilla with powdery and balsamic ice creamy and cardboard nuances Mosciano, Gerard P&F 25, No. 4, 71, (2000) |
properties :
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| appearence : | white to pale yellow powder |
| assay : | 98.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| melting point : | 57.00 °C. @ 760.00 mm Hg
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| boiling point : | 295.00 to 296.00 °C. @ 760.00 mm Hg
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| acid value : | 2.00 max. KOH/g
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| flash point : | 246.00 °F. TCC ( 118.89 °C. )
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| logP (o/w) : | 1.72 |
safety :
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| Oral Toxicity(LD50) : | |
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Oral-Rat [sex: M,F] >2000.00 mg/kg (Sanders & Crowther, 1997)
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| Dermal Toxicity(LD50) : | |
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Not determined
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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) : | 0.61 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) : | ND (μg/capita/day) |
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| recommendation for ethyl vanillin isobutyrate fragrance usage levels up to : |
| | 5.0000 % in the fragrance concentrate.
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| recommendation for ethyl vanillin isobutyrate flavor usage levels up to : |
| | 10.0000 ppm in the flavor.
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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... |
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| | 3-ethoxy-4-hydroxybenzaldehyde; 2-methylpropanoate |
| chemidplus : | 188417267 |
| EPA Substance Registry Services : | 188417-26-7 |
references :
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| | 3-ethoxy-4-hydroxybenzaldehyde; 2-methylpropanoate |
| fl. number : | 09.933 |
| jecfa number : | 953 |
| pubchem : | 3819438 |
other :
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| FDA Everything Added to Food in the United States (EAFUS) | View |