| cas number : | 180964-47-0 |
| fema number : | 3904 |
| jecfa number : | 1879 |
| fl. number : | 02.248 |
| molecular weight : | 364.4757800 |
| formula : | C21 H32 O5 |
| |
|
| IUPAC name : | 4-hydroxy-3-methoxybenzaldehyde |
| InChI : | InChI=1/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3 |
| InChIKey : | MWOOGOJBHIARFG-UHFFFAOYAS |
| SMILES : | COC1=C(C=CC(=C1)C=O)O |
| cas number : | 121-33-5 |
| % from : | 2.00% to 3.00% |
| (EINECS) number : | 204-465-2 |
| beilstein number : | 0472792 |
| fema number : | 3107 |
| coe number : | 107 |
| jecfa number : | 889 |
| fl. number : | 05.018 |
| molar refractivity : | 41.56 ± 0.3 cm3 |
| parachor : | 324.0 ± 4.0 cm3 |
| index of refraction : | 1.587 ± 0.02 |
| surface tension : | 47.3 ± 3.0 dyne/cm |
| density : | 1.231 ± 0.06 g/cm3 |
| polarizability : | 16.47 ± 0.5 10-24cm3 |
| XlogP : | 1.20 |
| molecular weight : | 166.1739000 |
| formula : | C9 H10 O3 |
| BioActivity Analysis : | 79257 |
| NMR Predictor : | Predict |
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organoleptics :
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odor description :
| minty vanilla |
properties :
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| appearence : | colorless powder |
| assay : | 94.00 to 100.00 %
|
| Food Chemicals Codex Listed : | No |
| melting point : | 78.00 to 80.00 °C. @ 760.00 mm Hg
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| flash point : | not determined
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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) : | 061 (μg/capita/day) |
| Threshold of concern : | 90 (μg/person/day) |
| |
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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| |
| chemidplus : | 180964-47-0 |
| EPA Substance Registry Services : | 180964-47-0 |
| |
| |
| | 4-hydroxy-3-methoxybenzaldehyde
|
| (EINECS) number : | 204-465-2 |
| RTECS : | YW5775000 for 121-33-5 |
| chemidplus : | 000121335 |
| EPA Substance Registry Services : | 121-33-5 |
| dtp/nci : | 15351 |
references :
|
| fl. number : | 02.248 |
| jecfa number : | 1879 |
| pubchem : | 180964-47-0 |
| | 4-hydroxy-3-methoxybenzaldehyde
|
| fl. number : | 05.018 |
| jecfa number : | 889 |
| NIST Chemistry WebBook : | 1410779504 |
| pubchem : | 151625 |
other :
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