2-Hydroxy-4,5-dimethoxybenzaldehyde

HCID 10986908

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Basic information

CAS: 14382-91-3
Standard SMILES: COc1cc(O)c(C=O)cc1OC
InChIKey: XIKGRPKDQDFXLF-UHFFFAOYSA-N
Molecular formula: C9H10O4
Average molar mass: 182.17 g/mol
Monoisotopic mass: 182.0579088

Names & identifiers

Preferred name: 2-Hydroxy-4,5-dimethoxybenzaldehyde
IUPAC: 2-hydroxy-4,5-dimethoxybenzaldehyde
English name: 2-Hydroxy-4,5-diMethoxybenzaldehyde
Molecular formula: C9H10O4
Molecular weight: 182.17

Names & synonyms

2-hydroxy-4,5-dimethoxybenzaldehyde14382-91-3DTXSID20450826RefChem:87407DTXCID70401646840-864-3MFCD00598182Benzaldehyde, 2-hydroxy-4,5-dimethoxy-4,5-dimethoxy-2-hydroxybenzaldehyde2-hydroxy-4,5-dimethoxy-benzaldehydeSCHEMBL333221CHEMBL3753940

Show more names

2-hydroxy-4，5-dimethoxybenzenemethylaldehyde

SCHEMBL29730976XIKGRPKDQDFXLF-UHFFFAOYSA-N2-hydroxy 4,5dimethoxybenzaldehyde2-Hydroxy-45-dimethoxybenzaldehydePAA382912-hydroxy 4,5-dimethoxybenzaldehyde3,4-dimethoxy-6-hydroxybenzaldehydeEBC-12431

Database identifiers

CAS: 14382-91-3
PubChem CID: 10986908
DTXSID: DTXSID20450826
ChEMBL: CHEMBL3753940
EC Number: 840-864-3
Nikkaji: J1.082.808B

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 55.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 13
Formal charge: 0
Complexity: 171

Physicochemical properties

Melting point: 105 °C · 105 °C
Boiling point: 315.8 · 315.8±37.0 °C(Predicted)
Density: 1.234 · 1.234±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
pka: 8.3 · 8.30±0.23(Predicted)
Appearance: Light yellow to yellow Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319
Precautionary statements: 305 · P305+P351+P338
HS Code: 2912490090 · 2912490090

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.