| IUPAC name : | 4-hydroxy-3-methoxybenzaldehyde - (2R,3R,4S,5S,6R)-2-ethoxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol (1:1) |
| InChI : | InChI=1/C8H16O6.C8H8O3/c1-2-13-8-7(12)6(11)5(10)4(3-9)14-8;1-11-8-4-6(5-9)2-3-7(8)10/h4-12H,2-3H2,1H3;2-5,10H,1H3/t4-,5-,6+,7-,8-;/m1./s1 |
| InChIKey : | KAAJLEHEKNBACP-ALZNSTKSBQ |
| SMILES : | CCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O.O=Cc1cc(OC)c(O)cc1 |
| cas number : | 122397-96-0 |
| fema number : | 3801 |
| jecfa number : | 892 |
| fl. number : | 16.075 |
| molecular weight : | 328.3145000 |
| formula : | C15 H20 O8 |
| |
| |
| fda reg. : | |
| |
organoleptics :
|
| odor type : | vanilla |
| odor strength : | low |
odor description :
at 100.00 %. | vanilla |
properties :
|
| appearence : | white powder |
| assay : | 99.00 to 100.00 %
|
| Food Chemicals Codex Listed : | No |
| melting point : | 199.00 to 200.00 °C. @ 760.00 mm Hg
|
safety :
|
| Oral Toxicity(LD50) : |
Not determined
|
| Dermal Toxicity(LD50) : |
Not determined
|
| Maximised Survey-derived Daily Intakes (MSDI-EU) : | ND (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) : | 30.00 (μg/capita/day) |
| flash point ( Deg. F. ) : | not determined
|
| recommendation for glucoethyl vanillin usage levels up to : |
| | not for fragrance use.
|
safety references :
|
| European Food Safety Athority(efsa) : | Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies... |
| EPI System : | view |
| |
| |
| | 4-hydroxy-3-methoxybenzaldehyde - (2R,3R,4S,5S,6R)-2-ethoxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol (1:1)
|
| chemidplus : | 122397960 |
| EPA Substance Registry Services : | 122397-96-0 |
| NLM Chemical Carcinogenesis Research Information System : | 122397-96-0 |
| NLM Developmental and Reproductive Toxicity : | 122397-96-0 |
| NLM Env. Mutagen Info. Center : | 122397-96-0 |
| NLM GENetic TOXicology : | 122397-96-0 |
references :
|
| | 4-hydroxy-3-methoxybenzaldehyde - (2R,3R,4S,5S,6R)-2-ethoxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol (1:1)
|
| jecfa number : | 892 |
| fl. number : | 16.075 |
| pubchem : | 199760 |
other :
|