111286-73-8

Basic information

• Product Name: Benzenepropanoic acid, 2-(2-methoxy-2-oxoethoxy)-, methyl ester
• CAS NO: 111286-73-8
• Molecular Formula: C13H16O5
• Molecular Weight: 252.267
• Mol File: 111286-73-8.mol
• Article Data: 2

Chemical Properties

• CAS DataBase Reference: Benzenepropanoic acid, 2-(2-methoxy-2-oxoethoxy)-, methyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: Benzenepropanoic acid, 2-(2-methoxy-2-oxoethoxy)-, methyl ester(111286-73-8)
• EPA Substance Registry System: Benzenepropanoic acid, 2-(2-methoxy-2-oxoethoxy)-, methyl ester(111286-73-8)

Safety Data

• Hazardous Substances Data: 111286-73-8(Hazardous Substances Data)

Upstream product

• 124-41-4 sodium methylate 
• 119-84-6 C₆H₄(CH₂CH₂C(O)O) 
• 96-34-4 methyl chloroacetate 
• 96-32-2 bromoacetic acid methyl ester 

Downstream Products

• 5032-03-1 (3-methyl-butyl)-phenol 
• 38824-30-5 2,3,4,5-tetrahydro-1-benzoxepin-3-ol 

Relevant articles and documents

Structure-activity relationship in the domain of odorants having marine notes

We synthesized or re-synthesized a large series of 2H-1,5-benzodioxepin- 3(4H)-ones 9 (Scheme 1), 4,5-dihydro-1-benzoxepin-3(2H)-ones 10 (Schemes 3 and 4) and 5,6,8,9-tetrahydro-7H-benzocyclohepten-7-ones 11 (Schemes 5 and 6), since the lead compound for the olfactory note of perfumes based on marine accords is a well-known benzodioxepinone named Calone 1951 (9b). We meticulously described the odor profile of each synthesized compound and discussed relevant structure-odor relationships (Tables 1-3). In particular, we revealed a correlation between the conformation of the seven-membered ring and the activities of these compounds (Table 4 and Fig. 3). We also clarified the effect of the position and the size of the alkyl substituent at the aromatic ring.