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| IUPAC name : | 2-ethoxy-4-(4-methyl-1,3-dioxolan-2-yl)phenol |
| InChI : | InChI=1/C12H16O4/c1-3-14-11-6-9(4-5-10(11)13)12-15-7-8(2)16-12/h4-6,8,12-13H,3,7H2,1-2H3 |
| InChIKey : | IFUIILQWHYHIEK-UHFFFAOYAF |
| SMILES : | CCOC1=C(C=CC(=C1)C2OCC(O2)C)O |
| cas number : | 68527-76-4 |
| (EINECS) number : | 271-281-7 |
| fema number : | 3838 |
| jecfa number : | 954 |
| molar refractivity : | 59.39 ± 0.3 cm3 |
| parachor : | 493.5 ± 4.0 cm3 |
| index of refraction : | 1.524 ± 0.02 |
| surface tension : | 41.9 ± 3.0 dyne/cm |
| density : | 1.156 ± 0.06 g/cm3 |
| polarizability : | 23.54 ± 0.5 10-24cm3 |
| XlogP : | 2.00 |
| molecular weight : | 224.2530400 (IUPAC) |
| formula : | C12 H16 O4 |
| NMR Predictor : | Predict |
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| IUPAC name : | 3-ethoxy-4-hydroxybenzaldehyde |
| InChI : | InChI=1/C9H10O3/c1-2-12-9-5-7(6-10)3-4-8(9)11/h3-6,11H,2H2,1H3 |
| InChIKey : | CBOQJANXLMLOSS-UHFFFAOYAD |
| SMILES : | CCOC1=C(C=CC(=C1)C=O)O |
| cas number : | 121-32-4 |
| (EINECS) number : | 204-464-7 |
| beilstein number : | 1073761 |
| fema number : | 2464 |
| coe number : | 108 |
| jecfa number : | 893 |
| fl. number : | 05.019 |
| molar refractivity : | 46.19 ± 0.3 cm3 |
| parachor : | 363.7 ± 4.0 cm3 |
| index of refraction : | 1.573 ± 0.02 |
| surface tension : | 45.5 ± 3.0 dyne/cm |
| density : | 1.186 ± 0.06 g/cm3 |
| polarizability : | 18.31 ± 0.5 10-24cm3 |
| XlogP : | 1.70 |
| molecular weight : | 166.1739000 (IUPAC) |
| formula : | C9 H10 O3 |
| BioActivity Analysis : | 68564 |
| NMR Predictor : | Predict |
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| export tariff code : | 2911.00.5000 |
| fda reg : | unspecified |
Suppliers :
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| Apple : | Ethyl Vanillin PG Acetal
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| Bedoukian Research : | ETHYL VANILLIN PROPYLENE GLYCOL ACETAL 80-85%
≥75.0% (sum of isomers), Kosher Odor: A vanilla odor similar to our #831 but contains ca. 20% Ethyl Vanillin. |
| Bedoukian Research : | ETHYL VANILLIN PROPYLENE GLYCOL ACETAL
≥98.0% (sum of isomers), Kosher Odor: A vanilla odor with a spicy, clove like undertone. |
| Inoue : | ETHYL VANILLIN PG ACETAL
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| Penta : | ethyl vanillin propylene glycol acetal
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| Vigon : | Ethyl Vanillin P.G. Acetal
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organoleptics :
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| odor type : | vanilla |
| odor strength : | medium |
odor description : at 100.00 %. | sweet vanilla creamy spicy |
| substantivity : | 304 Hour(s) |
properties :
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| appearence : | pale yellow to yellow viscous liquid |
| assay : | 99.00 to 100.00 % sum of isomers
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 1.15800 to 1.16800 @ 25.00 °C.
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| pounds per gallon - calc. : | 9.636 to 9.719
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| refractive index : | 1.52600 to 1.53600 @ 20.00 °C.
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| boiling point : | 160.00 °C. @ 1.00 mm Hg
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| boiling point : | 346.00 to 347.00 °C. @ 760.00 mm Hg
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| vapor pressure : | 0.00002 mm/Hg @ 25.00 °C. |
| flash point : | 230.00 °F. TCC ( 110.00 °C. )
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| logP (o/w) : | 1.62 |
safety :
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| most important hazard(s) : | None - None found. |
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S 02 - Keep out of the reach of children. S 24/25 - Avoid contact with skin and eyes. S 36 - Wear suitable protective clothing.
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| Oral Toxicity(LD50) : |
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Not determined
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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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| recommendation for ethyl vanillin propylene glycol acetal usage levels up to : |
| | 5.0000 % in the fragrance concentrate.
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| recommendation for ethyl vanillin propylene glycol acetal usage levels up to : |
| | 25.0000 ppm in the flavor.
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safety references :
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| EPI System : | view |
| EPA Chem. Sub. Inventory : | Yes |
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| WGK Germany : | 3 |
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| | 2-ethoxy-4-(4-methyl-1,3-dioxolan-2-yl)phenol
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| (EINECS) number : | 271-281-7 |
| chemidplus : | 068527764 |
| EPA Substance Registry Services : | 68527-76-4 |
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| | 3-ethoxy-4-hydroxybenzaldehyde
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| (EINECS) number : | 204-464-7 |
| RTECS : | CU6125000 for 121-32-4 |
| chemidplus : | 000121324 |
| EPA Substance Registry Services : | 121-32-4 |
| dtp/nci : | 1803 |
references :
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| | 2-ethoxy-4-(4-methyl-1,3-dioxolan-2-yl)phenol
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| jecfa number : | 954 |
| pubchem : | 686804 |
| | 3-ethoxy-4-hydroxybenzaldehyde
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| fl. number : | 05.019 |
| jecfa number : | 893 |
| NIST Chemistry WebBook : | 3150114248 |
| pubchem : | 151624 |
other :
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