| 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 |
| NMR Predictor : | Predict |
| |
| |
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
|
| flash point : | not determined
|
safety :
|
| Oral Toxicity(LD50) : | | |
Not determined
|
| Dermal Toxicity(LD50) : | | |
Not determined
|
| Inhalation Toxicity(LC50) : | | |
Not determined
|
| |
safety in use :
|
| Maximised Survey-derived Daily Intakes (MSDI-EU) : | ND (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) : | 30.00 (μg/capita/day) |
| |
| 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 |
references :
|
| | 4-hydroxy-3-methoxybenzaldehyde - (2R,3R,4S,5S,6R)-2-ethoxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol (1:1)
|
| fl. number : | 16.075 |
| jecfa number : | 892 |
| pubchem : | 199760 |
other :
|
|
synonyms :
|
| 3- | ethoxy-4-(beta-dextro-glucopyranosyl oxy) benzaldehyde | | 3- | ethoxy-4-beta-dextro-benzaldehyde | | | ethyl vanillin beta-D-glucopyranoside | | | ethyl vanillin beta-dextro-glucopyranoside | | | ethyl vanillin glucoside | | 4- | hydroxy-3-methoxybenzaldehyde - (2R,3R,4S,5S,6R)-2-ethoxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol (1:1) |
soluble in :
|
| | alcohol | | | water, slightly |
insoluble in :
|
| | water |
(odor and/or flavor) blends with :
|
| | acetanisole |
| | acetovanillone |
| ortho- | anisaldehyde |
| para- | anisyl acetate |
| para- | anisyl formate |
| | benzoin |
| | benzoin absolute siam |
| | benzoin absolute sumatra |
| | benzoin resin siam |
| | benzoin resin sumatra |
| | benzoin resinoid |
| | benzoin resinoid siam |
| | benzoin resinoid sumatra |
| 1- | benzoyl acetone |
| | coumane |
| para- | cresyl laurate |
| | dianthus ethone |
| 1,2- | dimethoxybenzene |
| 2,4- | dimethyl benzaldehyde |
| alpha- | ethoxy-ortho-cresol |
| | ethyl vanillate |
| | ethyl vanillin |
| | ethyl vanillin isobutyrate |
| | ethyl vanillin propylene glycol acetal |
| | furfural acetone |
| | guaiacol |
| | guaiacyl acetate |
| | heliotropin |
| | heliotropyl alcohol |
| | menthoxypropane diol |
| (E)-para- | methoxycinnamaldehyde |
| para- | methoxycinnamaldehyde |
| 4- | methoxysalicylaldehyde |
| 6- | methyl coumarin |
| 4- | methyl guaiacol |
| | methyl vanillate |
| | peru balsam oil |
| | propenyl guaethol |
| | valeraldehyde |
| | vanilla absolute |
| | vanilla carboxylate |
| | vanilla cresol |
| | vanilla oleoresin |
| | vanilla resinoid |
| | vanillic acid |
| | vanillin |
| | vanillin 1,2-butylene glycol acetal (erythro and threo) |
| | vanillin propylene glycol acetal |
| | vanillyl acetate |
| | vanillyl alcohol |
| | vanillyl butyl ether |
| | vanillyl ethyl ether |
| | vanillyl isobutyrate |
| | vanillylidene acetone |
| | veratraldehyde |
| | zingerone |
(odor and/or flavor) used in :
|
| | cream | | | custard | | | vanilla |
natural occurrence in :
|
| not found in nature |
|