2,4-dioxopentan-3-yl benzoate

Modify Date: 2025-09-12 12:13:44

2,4-dioxopentan-3-yl benzoate Structure
2,4-dioxopentan-3-yl benzoate structure
Common Name 2,4-dioxopentan-3-yl benzoate
CAS Number 4620-47-7 Molecular Weight 220.22100
Density 1.171g/cm3 Boiling Point 373.4ºC at 760 mmHg
Molecular Formula C12H12O4 Melting Point N/A
MSDS N/A Flash Point 167ºC

 Names

Name 2,4-dioxopentan-3-yl benzoate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.171g/cm3
Boiling Point 373.4ºC at 760 mmHg
Molecular Formula C12H12O4
Molecular Weight 220.22100
Flash Point 167ºC
Exact Mass 220.07400
PSA 60.44000
LogP 1.39000
Index of Refraction 1.513
InChIKey VWWVUXIKLRIRAZ-UHFFFAOYSA-N
SMILES CC(=O)C(OC(=O)c1ccccc1)C(C)=O

 Safety Information

HS Code 2916310090

 Synthetic Route

~96%

2,4-dioxopentan-3-yl benzoate Structure

2,4-dioxopentan...

CAS#:4620-47-7

Literature: ARRAY BIOPHARMA INC. Patent: WO2009/42435 A1, 2009 ; Location in patent: Page/Page column 113; 116; 119-120 ; WO 2009/042435 A1

~75%

2,4-dioxopentan-3-yl benzoate Structure

2,4-dioxopentan...

CAS#:4620-47-7

Literature: Uyanik, Muhammet; Suzuki, Daisuke; Yasui, Takeshi; Ishihara, Kazuaki Angewandte Chemie - International Edition, 2011 , vol. 50, # 23 p. 5331 - 5334

~99%

2,4-dioxopentan-3-yl benzoate Structure

2,4-dioxopentan...

CAS#:4620-47-7

Literature: Valgimigli, Luca; Brigati, Giovanni; Pedulli, Gian Franco; DiLabio, Gino A.; Mastragostino, Marina; Arbizzani, Catia; Pratt, Derek A. Chemistry - A European Journal, 2003 , vol. 9, # 20 p. 4997 - 5010

 Customs

HS Code 2916310090
Summary 2916310090 other benzoic acid and its salts and esters。supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward)。VAT:17.0%。tax rebate rate:9.0%。MFN tariff:6.5%。general tariff:30.0%

 Synonyms

3-benzoyloxypentan-2,4-dione
3-(BENZOYLOXY)-2,4-PENTANEDIONE
3-benzoyloxypentane-2,4-dione
2,3-hydroxy-,benzoate
benzoic acid 1-acetyl-2-oxo-propyl ester
2,3-(benzoyloxy)
benzoylacetonate
3-Benzoyloxy-pentan-2,4-dion
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