6-Methoxysalicylaldehyde

HCID 69692CAS 700-44-7

Substructure search Find similar structures

Basic information

Standard SMILES: COc1cccc(O)c1C=O
InChIKey: DZJPDDVDKXHRLF-UHFFFAOYSA-N
Molecular formula: C8H8O3
Average molar mass: 152.15 g/mol
Monoisotopic mass: 152.04734412

Names & identifiers

Preferred name: 6-Methoxysalicylaldehyde
IUPAC: 2-hydroxy-6-methoxybenzaldehyde
English name: 2-Hydroxy-6-Methoxybenzaldehyde
Molecular formula: C8H8O3
Molecular weight: 152.15

Names & synonyms

700-44-76-MethoxysalicylaldehydeEINECS 211-844-6DTXSID60220262RefChem:104963DTXCID60142753211-844-62-hydroxy-6-methoxybenzaldehydeMFCD001518302-hydroxy-6-methoxy-benzaldehydeBenzaldehyde, 2-hydroxy-6-methoxy-SCHEMBL743608

Show more names

6-METHOXYSAKOS 222-39AKOS MSC-0132AKOS BBS-000070086-HYDROXYANISALDEHYDE2-HYDROXY-P-ANISALDEHYDE2-HYDROXY-4-ANISALDEHYDE6-hydroxy-o-anisaldehyde

CL8288AKOS000269266A9258DXH837HYG46-Hydroxy-o-anisaldehyde 6-Methoxysalicylaldehyde2-methoxy-6-hydroxybenzaldehydeSCHEMBL289236776-Methoxysalicylaldehyde pound>> 6-Hydroxy-o-anisaldehyde

Database identifiers

CAS: 700-44-7
PubChem CID: 69692
DTXSID: DTXSID60220262
UNII: DXH837HYG4
EC Number: 211-844-6
Nikkaji: J155.610J

Properties

Computed structural properties

XLogP: 1.6
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: 41 · 41-43 °C(lit.)
Boiling point: 262.9 · 262.9±20.0 °C(Predicted)
Density: 1.231 · 1.231±0.06 g/cm3(Predicted)
Flash point: 230 °F · >230 °F
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
solubility: Chloroform (Slightly), Methanol (Slightly)
form: Solid
pka: 7.79 · 7.79±0.10(Predicted)
color: Pale Yellow to Brown
Water Solubility: Slightly soluble in water.
Sensitive: Air Sensitive
BRN: 1101524 · 1101524
InChI: InChI=1S/C8H8O3/c1-11-8-4-2-3-7(10)6(8)5-9/h2-5,10H,1H3
InChIKey: DZJPDDVDKXHRLF-UHFFFAOYSA-N
SMILES: C(=O)C1=C(OC)C=CC=C1O
CAS DataBase Reference: 700 · 700-44-7(CAS DataBase Reference)
UNSPSC Code: 12352200 · 12352200
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Hazard Codes: Xi,Xn
Risk Statements: 36 · 36/37/38-43-36-22
Safety Statements: 26 · 26-36-26/36-36/37/39-27-36/37
WGK Germany: 3 · 3
RTECS: 2810000 · BZ2810000
F: 10 · 10
HS Code: 2912490090 · 2912490090
Storage Class: 11 · 11 - Combustible Solids

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (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 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.