HuagongsheHuagongshe Chemistry Print Report · For research reference only
Benzaldehyde, 4-(acetyloxy)-3-ethoxy-
AKOS B004453 · ETHYL VANILLIN ACETATE · 4-acetoxy-3-ethoxybenzaldehyde · 2-ETHOXY-4-FORMYL-PHENYL ACETATE · *Fenthion Impurity 22 (Leptophos) · 4-(acetyloxy)-3-ethoxy-benzaldehyd · 4-(Acetyloxy)-3-ethoxybenzaldehyde · Ethylvanillin acetate, 10 mM in DMSO
Identifiers & Physical Properties
| CAS No. | 72207-94-4 |
|---|---|
| Molecular formula | C11H12O4 |
| Average molar mass | 208.213 g/mol |
| Monoisotopic mass | 208.07355886 g/mol |
| SMILES | CCOc1cc(C=O)ccc1OC(C)=O |
| InChIKey | XRZFVPCFHPIMAD-UHFFFAOYSA-N |
| PubChem CID | 155708 |
| EC No. | 676-943-2 |
| DTXSID | DTXSID8072530 |
Chemical & Physical Properties
| Melting point | 45 °C |
|---|---|
| Boiling point | 267.4°C (rough estimate) |
| Density | 1.0627 (rough estimate) |
| Refractive index | 1.4389 (estimate) |
| Storage conditions | under inert gas (nitrogen or Argon) at 2-8°C |
| Solubility | soluble in MethanolSoluble in water (986.4 mg / L) at 25°C. |
| Physical state | powder to crystal |
| Color | White to Almost white |
| Odor | at 100.00 %. vanilla milky |
| Odor type | vanilla |
| Sensitivity | Air Sensitive |
| LogP (partition coefficient) | 2.086 (est) |
| CAS DataBase Reference | 72207-94-4 |
| EWG's Food Scores | 1 |
| EPA Substance Registry System | Benzaldehyde, 4-(acetyloxy)-3-ethoxy- (72207-94-4) |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H315-H319-H335 |
| GHS precautionary statements | P261-P280a-P304+P340-P305+P351+P338-P405-P501a |
| Hazard symbols | Xi |
| Risk statements (R) | 43 |
| Safety statements (S) | 36/37 |
| RTECS number | CU4381000 |
| TSCA inventory status | TSCA listed |
| Hazard class | IRRITANT |
Safety & Regulations
| TSCA inventory status | TSCA listed |
|---|---|
| RTECS number | CU4381000 |
| Risk statements (R) | 43 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard symbols | Xi |
| Safety statements (S) | 36/37 |
| Hazard class | IRRITANT |
| GHS hazard statements | H315-H319-H335 |
| GHS precautionary statements | P261-P280a-P304+P340-P305+P351+P338-P405-P501a |
Applications & Uses
Uses
4-Acetoxy-3-ethoxybenzaldehyde is used in organic synthesis. It is used as catalytic agent; petrochemical additive.