2-Pentenoicacid, 3-methyl-4-oxo-, (E)- (9CI)

Modify Date: 2024-04-11 12:00:26

2-Pentenoicacid, 3-methyl-4-oxo-, (E)- (9CI) Structure
2-Pentenoicacid, 3-methyl-4-oxo-, (E)- (9CI) structure
Common Name 2-Pentenoicacid, 3-methyl-4-oxo-, (E)- (9CI)
CAS Number 71339-40-7 Molecular Weight 128.12600
Density 1.136g/cm3 Boiling Point 270.9ºC at 760mmHg
Molecular Formula C6H8O3 Melting Point N/A
MSDS N/A Flash Point 131.9ºC

 Names

Name 3-methyl-4-oxopent-2-enoic acid
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.136g/cm3
Boiling Point 270.9ºC at 760mmHg
Molecular Formula C6H8O3
Molecular Weight 128.12600
Flash Point 131.9ºC
Exact Mass 128.04700
PSA 54.37000
LogP 0.60630
Index of Refraction 1.468
InChIKey LRRPKULXSOVRRZ-ONEGZZNKSA-N
SMILES CC(=O)C(C)=CC(=O)O

 Synthetic Route

~78%

2-Pentenoicacid, 3-methyl-4-oxo-, (E)- (9CI) Structure

2-Pentenoicacid...

CAS#:71339-40-7

Literature: Ishihara, Jun; Miyakawa, Jun; Tsujimoto, Takashi; Murai, Akio Synlett, 1997 , # 12 p. 1417 - 1419

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2-Pentenoicacid, 3-methyl-4-oxo-, (E)- (9CI) Structure

2-Pentenoicacid...

CAS#:71339-40-7

Literature: Kumar, Naresh; Read, Roger Wayne Patent: US2004/110966 A1, 2004 ;

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2-Pentenoicacid, 3-methyl-4-oxo-, (E)- (9CI) Structure

2-Pentenoicacid...

CAS#:71339-40-7

Literature: Ishihara, Jun; Miyakawa, Jun; Tsujimoto, Takashi; Murai, Akio Synlett, 1997 , # 12 p. 1417 - 1419

~%

2-Pentenoicacid, 3-methyl-4-oxo-, (E)- (9CI) Structure

2-Pentenoicacid...

CAS#:71339-40-7

Literature: Ishihara, Jun; Miyakawa, Jun; Tsujimoto, Takashi; Murai, Akio Synlett, 1997 , # 12 p. 1417 - 1419

~%

2-Pentenoicacid, 3-methyl-4-oxo-, (E)- (9CI) Structure

2-Pentenoicacid...

CAS#:71339-40-7

Literature: Bayer and Co. Patent: DE242612 ; Fortschr. Teerfarbenfabr. Verw. Industriezweige, vol. 10, p. 1008

 Synonyms

3-methyl-4-oxo-octanoic acid
4-Oxo-3-methyl-2-pentenoic acid
3-Methyl-4-oxo-pent-2-ensaeure
Octanoic acid,3-methyl-4-oxo
3-Methyl-4-oxo-2-pentenoic acid
3-Methyl-4-oxo-octansaeure
3-methyl-4-oxo-pent-2-enoic acid
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