2-Butanone, 1-(4-chlorophenoxy)-3,3-dimethyl-

HCID 90518

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 24473-06-1
Standard SMILES: CC(C)(C)C(=O)COc1ccc(Cl)cc1
InChIKey: WISVKXCNQOLCJL-UHFFFAOYSA-N
Molecular formula: C12H15ClO2
Average molar mass: 226.7 g/mol
Monoisotopic mass: 226.0760574

Names & identifiers

Preferred name: 2-Butanone, 1-(4-chlorophenoxy)-3,3-dimethyl-
IUPAC: 1-(4-chlorophenoxy)-3,3-dimethylbutan-2-one
English name: 1-(4-Chlorophenoxy)-3,3-dimethyl-2-butanone
Molecular formula: C12H15ClO2
Molecular weight: 226.7

Names & synonyms

24473-06-11-(4-Chlorophenoxy)-3,3-dimethyl-2-butanone2-Butanone, 1-(4-chlorophenoxy)-3,3-dimethyl-2-Butanone, 1-(p-chlorophenoxy)-3,3-dimethyl-RefChem:4673682-Butanone, 1-(p-chlorophenoxy)-3,3-dimethyl-(8CI)607-382-31-(4-chlorophenoxy)-3,3-dimethylbutan-2-oneMFCD004591241-(4-chlorophenoxy)-3,3-dimethyl-butan-2-oneSCHEMBL8624905DTXSID4051906

Show more names

3,3-dimethyl-1-(4-chlorophenyl)butan-2-one2-Butanone, 1-(p-chlorophenoxy)-3,3-dimethyl- (8ci)1-(4-chlorophenoxy)-3,3-dimethylbutan-2-one(WXC05061)

AKOS008907982AS-65914NS000276721-(p-chlorophenoxy)-3,3-dimethyl-2-butanone2,2-dimethyl-4-(4-chlorophenoxy)butan-3-oneW129551-(4-chlorophen-oxy)-3,3-dimethylbutan-2-oneF531046

Database identifiers

CAS: 24473-06-1
PubChem CID: 90518
DTXSID: DTXSID4051906
EC Number: 607-382-3
Nikkaji: J467.938E

Properties

Computed structural properties

XLogP: 3.7
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 4
Heavy atoms: 15
Formal charge: 0
Complexity: 212

Experimental & physicochemical properties

SpringerMaterials PropertiesFusion temperature

Physicochemical properties

Boiling point: 304.1 · 304.1±17.0 °C(Predicted)
Density: 1.105 · 1.105±0.06 g/cm3(Predicted)
EWG's Food Scores: 1 · 1
EPA Substance Registry System: 2 · 2-Butanone, 1-(4-chlorophenoxy)-3,3-dimethyl- (24473-06-1)
TSCA: TSCA listed