3,5-Dimethoxybenzaldehyde
BENZALDEHYDE, 3,5-DIMETHOXY- · 311-34-4 · 3,5-Dimetho · 3,5-DimethoxybenzaL · 3,5-Dimethoxybenzald · 3,5-Dimethoxybenzaldehye · 3,5-dimethoxybenzaldehdye · 3,5-Dimethoxybenzeldehyde
Identifiers & Physical Properties
| CAS No. | 7311-34-4 |
|---|---|
| Molecular formula | C9H10O3 |
| Average molar mass | 166.17 g/mol |
| Monoisotopic mass | 166.06299418 g/mol |
| SMILES | COc1cc(C=O)cc(OC)c1 |
| InChIKey | VFZRZRDOXPRTSC-UHFFFAOYSA-N |
| PubChem CID | 81747 |
| ChEMBL | CHEMBL234037 |
| ChEBI | CHEBI:173755 |
| EC No. | 230-772-6 |
| DTXSID | DTXSID50223388 |
Chemical & Physical Properties
| XLogP | 1.3 |
|---|---|
| Topological polar surface area | 35.5 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 3 |
| Heavy atoms | 12 |
| Formal charge | 0 |
| Complexity | 135 |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| Melting point | 45-48 °C (lit.) |
| Boiling point | 151 °C/16 mmHg (lit.) |
| Density | 1.1708 (rough estimate) |
| Refractive index | 1.5260 (estimate) |
| Flash point | >230 °F |
| Storage conditions | Keep in dark place,Sealed in dry,Room Temperature |
| Solubility | Chloroform (Slightly)insoluble |
| Physical state | Crystalline Solid |
| Color | White to beige |
| Sensitivity | Air Sensitive |
| BRN | 2042374 |
| InChI | 1S/C9H10O3/c1-11-8-3-7(6-10)4-9(5-8)12-2/h3-6H,1-2H3 |
| InChIKey | VFZRZRDOXPRTSC-UHFFFAOYSA-N |
| SMILES | [H]C(=O)c1cc(OC)cc(OC)c1 |
| LogP (partition coefficient) | 1.530 (est) |
| CAS DataBase Reference | 7311-34-4(CAS DataBase Reference) |
| FDA UNII | P82W3UJ5DT |
| NIST Chemistry Reference | 3,5-dimethoxybenzaldehyde(7311-34-4) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H335-H315-H319 |
| GHS precautionary statements | P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313 |
| Personal protective equipment (PPE) | dust mask type N95 (US), Eyeshields, Gloves |
| Hazard symbols | Xi |
| Risk statements (R) | 36/37/38 |
| Safety statements (S) | 26-36-24/25 |
| Water hazard class (WGK) | 3 |
| F | 9 |
| Hazard Note | Irritant |
| Customs code | 29124990 |
| Storage class | 11 - Combustible Solids |
Safety & Regulations
| GHS classification | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 48 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatory information | Chemical: Benzaldehyde, 3,5-dimethoxy-Benzaldehyde, 3,5-dimethoxy-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| F | 9 |
| Personal protective equipment (PPE) | dust mask type N95 (US), Eyeshields, Gloves |
| Water hazard class (WGK) | 3 |
| Customs code | 29124990 |
| Risk statements (R) | 36/37/38 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard symbols | Xi |
| hazard_note | Irritant |
| Safety statements (S) | 26-36-24/25 |
| Storage class | 11 - Combustible Solids |
| GHS hazard statements | H335-H315-H319 |
| GHS precautionary statements | P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313 |
Applications & Uses
Description
3,5-Dimethoxybenzaldehyde is an important raw material for chemical production and can be used for the synthesis of other organic compounds such as 3,5-Dimethoxybenzonitrile, 3,5-Dimethoxybenzylamine and 3,5-Dihydroxybenzaldehyde.
Uses
3,5-Dimethoxybenzaldehyde is used as a building block in organic synthesis. It is used to prepare isomeric hyperbranched polyetherketones.
Uses
3,5-Dimethoxybenzaldehyde is used frequently as synthetic building block. 3,5-Dimethoxybenzaldehyde, is a benzaldehyde derivative, that can be used as a building block in the synthesis of more complex structures.