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| IUPAC name : | 4-ethenyl-2,6-dimethoxyphenol |
| InChI : | InChI=1/C10H12O3/c1-4-7-5-8(12-2)10(11)9(6-7)13-3/h4-6,11H,1H2,2-3H3 |
| InChIKey : | QHJGZUSJKGVMTF-UHFFFAOYAI |
| SMILES : | COC1=CC(=CC(=C1O)OC)C=C |
| cas number : | 28343-22-8 |
| coe number : | 11229 |
| fl. number : | 04.061 |
| molar refractivity : | 52.41 ± 0.3 cm3 |
| parachor : | 400.5 ± 4.0 cm3 |
| index of refraction : | 1.561 ± 0.02 |
| surface tension : | 37.5 ± 3.0 dyne/cm |
| density : | 1.113 ± 0.06 g/cm3 |
| polarizability : | 20.77 ± 0.5 10-24cm3 |
| XlogP : | 2.40 |
| molecular weight : | 180.2004800 |
| formula : | C10 H12 O3 |
| NMR Predictor : | Predict |
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| export tariff code : | unspecified |
| fda reg : | unspecified |
organoleptics :
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| odor strength : | medium , recommend smelling in a 10.00 % solution or less |
odor description : at 10.00 % in dipropylene glycol. | phenolic animal leather |
properties :
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| appearence : | colorless solid |
| assay : | 95.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| melting point : | 133.00 to 135.00 °C. @ 760.00 mm Hg
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| boiling point : | 314.00 to 315.00 °C. @ 760.00 mm Hg
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| flash point : | 259.00 °F. TCC ( 126.11 °C. )
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| logP (o/w) : | 1.57 |
safety :
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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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| Maximised Survey-derived Daily Intakes (MSDI-EU) : | 1.20 (μg/capita/day) |
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| recommendation for 2,6-dimethoxy-4-vinyl phenol usage levels up to : |
| | 0.0500 % 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 |
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| | 4-ethenyl-2,6-dimethoxyphenol
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| chemidplus : | 028343228 |
| EPA Substance Registry Services : | 28343-22-8 |
references :
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| | 4-ethenyl-2,6-dimethoxyphenol
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| fl. number : | 04.061 |
| NIST Chemistry WebBook : | 4289860443 |
| pubchem : | 3737342 |
other :
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| VCF-Online: | VCF Volatile Compounds in Food |