5-Hydroxy-2-Methoxybenzaldehyde

HCID 358341

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 35431-26-6
Standard SMILES: COc1ccc(O)cc1C=O
InChIKey: HWNIBJPEJAWOTR-UHFFFAOYSA-N
Molecular formula: C8H8O3
Average molar mass: 152.15 g/mol
Monoisotopic mass: 152.04734412

Overview

5-hydroxy-2-methoxybenzaldehyde has been reported in Trianthema portulacastrum with data available.

Names & identifiers

Preferred name: 5-Hydroxy-2-Methoxybenzaldehyde
IUPAC: 5-hydroxy-2-methoxybenzaldehyde
English name: 5-Hydroxy-2-methoxybenzaldehyde
Molecular formula: C8H8O3
Molecular weight: 152.15

Names & synonyms

5-hydroxy-2-methoxybenzaldehyde35431-26-6DTXSID10326844RefChem:536182DTXCID00277957814-403-1MFCD038200465-hydroxy-2-methoxy-benzaldehyde2-Methoxy-5-hydroxybenzaldehydSCHEMBL16471013-hydroxy-6-methoxybenzaldehyde5-hydroxy-2-methoxybenzaidehyde

Show more names

2-Methoxy-5-hydroxybenzaldehyde5-Hydroxy-2-methoxybenzaldehyde 95+%5-Hydroxy-2-methoxybenzaldehyde ISO 9001：2015 REACH

Benzaldehyde, 5-hydroxy-2-methoxy-STK663890AKOS005526257CS-W006530NCI60_005535SY104272C748245-hydroxy-2-methoxy benzaldehyde

Database identifiers

CAS: 35431-26-6
PubChem CID: 358341
DTXSID: DTXSID10326844
ChEMBL: CHEMBL1988977
EC Number: 814-403-1
Nikkaji: J155.613D

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 46.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 11
Formal charge: 0
Complexity: 135

Physicochemical properties

Melting point: 110 · 110-115 °C
Boiling point: 309 · 309.0±22.0 °C(Predicted)
Density: 1.231 · 1.231±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
solubility: Acetone (Slightly), DMSO (Slightly)
pka: 9.73 · 9.73±0.18(Predicted)
form: Solid
color: Light Brown to Dark Orange
Stability: Air Sensitive
InChI: 1S/C8H8O3/c1-11-8-3-2-7(10)4-6(8)5-9/h2-5,10H,1H3
InChIKey: HWNIBJPEJAWOTR-UHFFFAOYSA-N
SMILES: COc1ccc(O)cc1C=O
UNSPSC Code: 12352200 · 12352200
NACRES: 21 · NA.21
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 271 · P271-P261
Hazard Codes: Xi
WGK Germany: 3 · WGK 3
HazardClass: IRRITANT, AIR SENSITIVE
HS Code: 2916399090 · 2916399090
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 OralAquatic · Acute Tox. 4 OralAquatic Chronic 3Eye Irrit. 2Skin Sens. 1

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+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.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (50%)

Safety data

wgk: WGK 3
hs_code: 2916399090
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
hazard_class: IRRITANT, AIR SENSITIVE
Storage Class: 11 - Combustible Solids
Hazard statements: H315-H319-H335
Hazard Classifications: Acute Tox. 4 OralAquatic Chronic 3Eye Irrit. 2Skin Sens. 1
Precautionary statements: P271-P261