4-Methoxyphenylacetaldehyde

HCID 79782

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 5703-26-4
Standard SMILES: COc1ccc(CC=O)cc1
InChIKey: NRIVMXXOUOBRAG-UHFFFAOYSA-N
Molecular formula: C9H10O2
Average molar mass: 150.17 g/mol
Monoisotopic mass: 150.06807956

Names & identifiers

Preferred name: 4-Methoxyphenylacetaldehyde
IUPAC: 2-(4-methoxyphenyl)acetaldehyde
English name: 4-METHOXYPHENYLACETALDEHYDE
Molecular formula: C9H10O2
Molecular weight: 150.17

Names & synonyms

5703-26-44-MethoxyphenylacetaldehydeEINECS 227-191-5DTXSID30205642RefChem:99669DTXCID60128133227-191-5NRIVMXXOUOBRAG-UHFFFAOYSA-N2-(4-methoxyphenyl)acetaldehyde(4-methoxyphenyl)acetaldehydeMFCD02261769p-methoxyphenylacetaldehyde

Show more names

AKOS BB-9815para-anisyl acetaldehyde4-MethoxybenzeneacetaldehydePARA-METHOXYPHENYLACETALDEHYDE

BENZENEACETALDEHYDE, 4-METHOXY-(4-Methoxy-phenyl)-acetaldehyde(4-Methoxyphenyl)ethanal4-methoxyphenyl acetaldehyde2-(4-methoxyphenyl)ethanalSCHEMBL190914SCHEMBL190915SCHEMBL1759552

Database identifiers

CAS: 5703-26-4
PubChem CID: 79782
DTXSID: DTXSID30205642
EC Number: 227-191-5
Nikkaji: J225.107H

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 11
Formal charge: 0
Complexity: 115

Physicochemical properties

Melting point: 0 °C · 0 °C
Boiling point: 255.5 °C · 255.5°C (estimate)
Density: 1.096 · 1.0960
refractive index: 1.5359 · 1.5359 (estimate)
FLAVIS Number: 5.159 · 05.159 | p-Methoxyphenylacetaldehyde
storage temp.: -20 °C · Inert atmosphere,Store in freezer, under -20°C
solubility: Chloroform (Sparingly)
form: Oil
color: Colourless
Odor: 10 % · at 10.00 % in dipropylene glycol. powerful hawthorn
Odor Type: floral
Stability: Air Sensitive, Moisture Sensitive
LogP: 1.62 · 1.620
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H317-H319-H335
Precautionary statements: 261 · P261-P280-P305+P351+P338
HS Code: 2912490090 · 2912490090

Safety & regulation

Safety data

hs_code: 2912490090
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H317-H319-H335
Precautionary statements: P261-P280-P305+P351+P338

Chemistry & industry

Applications · 1 item

Uses4-Methoxyphenylacetaldehyde is used in perfume compositions as part of the floral theme, mainly in Lilac, Heliotrope, Wallflower, Acacia, New Mown Hay, Hawthorne, and also in Fougeres as a sweetener or modifier for Anisaldehyde, etc. It blends excellently with the conventional sweeteners and florals, and produces softer, less harsh notes than Anisaldehyde or the substituted Acetophenones. The aldehyde tends to polymerize on storage and should be kept at uniform temperature, preferably in dilution, protected from daylight and air. Polymerization causes increase in viscosity and loss of odor.