CAS 18278-34-7 4-Hydroxy-2-Methoxybenzaldehyde (HCID 519541)

Substructure search Find similar structures

Basic information

CAS: 18278-34-7
Standard SMILES: COc1cc(O)ccc1C=O
InChIKey: WBIZZNFQJPOKDK-UHFFFAOYSA-N
Molecular formula: C8H8O3
Average molar mass: 152.15 g/mol
Monoisotopic mass: 152.04734412

Names & identifiers

Preferred name: 4-Hydroxy-2-Methoxybenzaldehyde
IUPAC: 4-hydroxy-2-methoxybenzaldehyde
English name: 4-Hydroxy-2-methoxybenzaldehyde
Molecular formula: C8H8O3
Molecular weight: 152.15

Names & synonyms

4-Hydroxy-2-methoxybenzaldehyde18278-34-7DTXSID70334061RefChem:523744DTXCID80285151628-847-74-Hydroxy-o-anisaldehydeBenzaldehyde, 4-hydroxy-2-methoxy-MFCD000519644-hydroxy-2-methoxy-benzaldehydeEntacapone Impurity 66SCHEMBL37462

Show more names

4-Hydroxy-2-methoxybFR-2320TIMTEC-BB SBB0086073-METHOXY-4-FORMYLPHENOL4-FORMYL-3-METHOXY-PHENOL4-Hydroxy-2-methoxybenzaldehdye

4-Hydroxy-2-methoxybenaldehyde2-methoxy-4-hydroxybenzaldehyde2-methoxy-4-hydroxy-benzaldehydePS-3220H11914-Formyl-3-methoxyphenolBB 0260623MLS000760729

Database identifiers

CAS: 18278-34-7
PubChem CID: 519541
DTXSID: DTXSID70334061
ChEMBL: CHEMBL1309669
EC Number: 628-847-7
Nikkaji: J155.614B

Properties

Computed structural properties

XLogP: 1.2
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: 158 · 158-161 °C
Boiling point: 234.6 °C · 234.6°C (rough estimate)
Density: 1.2143 · 1.2143 (rough estimate)
refractive index: 1.4447 · 1.4447 (estimate)
storage temp.: Inert atmosphere,Room Temperature
solubility: DMSO (Slightly), Methanol (Slightly)
form: Powder
pka: 7.4 · 7.40±0.18(Predicted)
color: Off-white to light brown
Water Solubility: practically insoluble
Sensitive: Air Sensitive
BRN: 2045122 · 2045122
Cosmetics Ingredients Functions: HAIR DYEING
InChI: 1S/C8H8O3/c1-11-8-4-7(10)3-2-6(8)5-9/h2-5,10H,1H3
InChIKey: WBIZZNFQJPOKDK-UHFFFAOYSA-N
SMILES

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (78.3%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P273, 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 60 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (78.3%)

Safety data

F: 10
PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
hs_code: 29124990
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36-37/39-6-36/37/39-27
hazard_class: IRRITANT
Storage Class: 11 - Combustible Solids
Hazard statements: H315-H319-H335
Precautionary statements: P261-P280a-P304+P340-P305+P351+P338-P405-P501a

Chemistry & industry

Applications

UsesA useful intermediate in the sythesis of solid phase supports for the preparation of fully protected peptide fragments.

Uses4-Hydroxy-2-methoxybenzaldehyde is a useful intermediate in the sythesis of solid phase supports for the preparation of fully protected peptide fragments