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Ethanone, 1-[2,4-bis(phenylmethoxy)phenyl]-2-methoxy-

HCID 78652
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Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
4940-45-8
Standard SMILES
COCC(=O)c1ccc(OCc2ccccc2)cc1OCc1ccccc1
InChIKey
CXEWRLLTJYRWCL-UHFFFAOYSA-N
Molecular formula
C23H22O4
Average molar mass
362.4 g/mol
Monoisotopic mass
362.15180918

Names & identifiers

Preferred name
Ethanone, 1-[2,4-bis(phenylmethoxy)phenyl]-2-methoxy-
IUPAC
1-[2,4-bis(phenylmethoxy)phenyl]-2-methoxyethanone
English name
1-[2,4-Bis(phenylmethoxy)phenyl]-2-methoxyethanone
Molecular formula
C23H22O4
Molecular weight
362.42

Names & synonyms

2',4'-Di(benzyloxy)-2-methoxyacetophenoneEthanone, 1-[2,4-bis(phenylmethoxy)phenyl]-2-methoxy-DTXSID00636542',4'-BIS(BENZYLOXY)-2-METHOXYACETOPHENONEEthanone, 1-(2,4-bis(phenylmethoxy)phenyl)-2-methoxy-RefChem:592525DTXCID8040692660-230-81-[2,4-bis(benzyloxy)phenyl]-2-methoxyethan-1-oneEthanone, 1-(2,4-bisbenzyloxyphenyl)-2-methoxy-AKOS0243248101-(2,4-dibenzyloxyphenyl)-2-methoxy-ethanone
Show more names
1-[2,4-Bis(phenylmethoxy)phenyl]-2-methoxyethanone
1-[2,4-bis(benzyloxy)phenyl]-2-methoxyethanoneAN-308/40897042

Database identifiers

CAS
4940-45-8
PubChem CID
78652
DTXSID
DTXSID0063654
Nikkaji
J421.747K

Properties

Computed structural properties

XLogP
4.4
Topological polar surface area
44.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
9
Heavy atoms
27
Formal charge
0
Complexity
426

Physicochemical properties

Melting point
103 · 103-104 °C
Boiling point
532.3 · 532.3±50.0 °C(Predicted)
Density
1.157 · 1.157±0.06 g/cm3(Predicted)
EPA Substance Registry System
1 · Ethanone, 1-[2,4-bis(phenylmethoxy)phenyl]-2-methoxy- (4940-45-8)
Symbol(GHS)
9 · GHS09
Signal word
Warning
Hazard statements
410 · H410
Precautionary statements
273 · P273-P391-P501
TSCA
TSCA listed

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

tsca
TSCA listed
Signal word
Warning
Symbol(GHS)
GHS09
Hazard statements
H410
Precautionary statements
P273-P391-P501

Chemistry & industry

Suppliers1 total

西格玛奥德里奇(上海)贸易有限公司21-20338288 · [email protected]

Related reactions

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Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes