5,7-bis(1,1-dimethylethyl)-3-phenyl-(3H)-benzofuran-2-one

Modify Date: 2025-08-25 10:00:51

5,7-bis(1,1-dimethylethyl)-3-phenyl-(3H)-benzofuran-2-one Structure
5,7-bis(1,1-dimethylethyl)-3-phenyl-(3H)-benzofuran-2-one structure
Common Name 5,7-bis(1,1-dimethylethyl)-3-phenyl-(3H)-benzofuran-2-one
CAS Number 66737-86-8 Molecular Weight 322.44100
Density 1.061g/cm3 Boiling Point 369.8ºC at 760 mmHg
Molecular Formula C22H26O2 Melting Point N/A
MSDS N/A Flash Point 154.9ºC

 Names

Name 5,7-ditert-butyl-3-phenyl-3H-1-benzofuran-2-one
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.061g/cm3
Boiling Point 369.8ºC at 760 mmHg
Molecular Formula C22H26O2
Molecular Weight 322.44100
Flash Point 154.9ºC
Exact Mass 322.19300
PSA 26.30000
LogP 5.33250
Index of Refraction 1.55
InChIKey UTPKNSJKAVUAOA-UHFFFAOYSA-N
SMILES CC(C)(C)c1cc2c(c(C(C)(C)C)c1)OC(=O)C2c1ccccc1

 Safety Information

HS Code 2932209090

 Synthetic Route

~86%

5,7-bis(1,1-dimethylethyl)-3-phenyl-(3H)-benzofuran-2-one Structure

5,7-bis(1,1-dim...

CAS#:66737-86-8

Literature: Ciba Specialty Chemicals Holding Inc. Patent: EP1170296 A2, 2002 ; Location in patent: Page 39 ;

~62%

5,7-bis(1,1-dimethylethyl)-3-phenyl-(3H)-benzofuran-2-one Structure

5,7-bis(1,1-dim...

CAS#:66737-86-8

Literature: Ciba-Geigy Corporation Patent: US5607624 A1, 1997 ;

~%

5,7-bis(1,1-dimethylethyl)-3-phenyl-(3H)-benzofuran-2-one Structure

5,7-bis(1,1-dim...

CAS#:66737-86-8

Literature: Gerster, Michele; Wicki, Reto Synthesis, 2004 , # 2 p. 249 - 254

~61%

5,7-bis(1,1-dimethylethyl)-3-phenyl-(3H)-benzofuran-2-one Structure

5,7-bis(1,1-dim...

CAS#:66737-86-8

Literature: Nesvadba, Peter; Bugnon, Lucienne; Dubs, Paul; Evans, Samuel Synlett, 1999 , # SPEC. ISS. p. 863 - 864

~%

5,7-bis(1,1-dimethylethyl)-3-phenyl-(3H)-benzofuran-2-one Structure

5,7-bis(1,1-dim...

CAS#:66737-86-8

Literature: Gerster, Michele; Wicki, Reto Synthesis, 2004 , # 2 p. 249 - 254

~%

5,7-bis(1,1-dimethylethyl)-3-phenyl-(3H)-benzofuran-2-one Structure

5,7-bis(1,1-dim...

CAS#:66737-86-8

Literature: Gerster, Michele; Wicki, Reto Synthesis, 2004 , # 2 p. 249 - 254

 Customs

HS Code 2932209090
Summary 2932209090. other lactones. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

 Synonyms

5,7-di-tert-butyl-3-phenyl-2-coumaranone
EINECS 266-468-5
5,7-di-tert-butyl-3-phenyl-3H-benzofuran-2-one
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