Acetaldehyde, (4-methoxyphenoxy)-

HCID 96383

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Basic information

CAS: 68426-09-5
Standard SMILES: COc1ccc(OCC=O)cc1
InChIKey: CUMIGPPRWNRSMW-UHFFFAOYSA-N
Molecular formula: C9H10O3
Average molar mass: 166.17 g/mol
Monoisotopic mass: 166.06299418

Names & identifiers

Preferred name: Acetaldehyde, (4-methoxyphenoxy)-
IUPAC: 2-(4-methoxyphenoxy)acetaldehyde
English name: (4-methoxyphenoxy)acetaldehyde
Molecular formula: C9H10O3
Molecular weight: 166.17

Names & synonyms

2-(4-methoxyphenoxy)acetaldehyde68426-09-5(4-Methoxyphenoxy)acetaldehydeAcetaldehyde, (4-methoxyphenoxy)-CCS9K5Q3AHAcetaldehyde, 2-(4-methoxyphenoxy)-2-(4-methoxy-phenoxy)-ethanalNSC-71550DTXSID6071536NSC 71550RefChem:108785DTXCID7045996

Show more names

p-MethoxyphenoxyacetaldehydeNSC71550EINECS 270-389-1AI3-12039UNII-CCS9K5Q3AHNCIOpen2_000578SCHEMBL1951879SCHEMBL2641343

Database identifiers

CAS: 68426-09-5
PubChem CID: 96383
DTXSID: DTXSID6071536
UNII: CCS9K5Q3AH
EC Number: 270-389-1
Nikkaji: J332.552K

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 35.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 12
Formal charge: 0
Complexity: 128

Physicochemical properties

FDA UNII: 9 K5Q3AH · CCS9K5Q3AH
EPA Substance Registry System: Acetaldehyde, (4-methoxyphenoxy)- (68426-09-5)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 280 · P280-P305+P351+P338
TSCA: TSCA listed