5162-60-7

Basic information

• Product Name: Hexanoic acid, 2-propyl-, methyl ester
• CAS NO: 5162-60-7
• Molecular Formula: C10H20O2
• Molecular Weight: 172.268
• Mol File: 5162-60-7.mol
• Article Data: 3

Chemical Properties

• CAS DataBase Reference: Hexanoic acid, 2-propyl-, methyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: Hexanoic acid, 2-propyl-, methyl ester(5162-60-7)
• EPA Substance Registry System: Hexanoic acid, 2-propyl-, methyl ester(5162-60-7)

Safety Data

• Hazardous Substances Data: 5162-60-7(Hazardous Substances Data)

Upstream product

• 111-66-0 oct-1-ene 
• 107-31-3 Methyl formate 
• 67-56-1 methanol 
• 14850-23-8 trans-4-Octene 
• 201230-82-2 carbon monoxide 
• 3274-28-0 (+/-)-2-n-propylhexanoic acid 
• 77-78-1 dimethyl sulfate 

Relevant articles and documents

MONOPHOSPHINE COMPOUNDS AND PALLADIUM CATALYSTS BASED THEREON FOR THE ALKOXYCARBONYLATION OF ETHYLENICALLY UNSATURATED COMPOUNDS

The invention relates to compounds of formula (I) where R1 is selected from —(C1-C12)-alkyl, —(C3-C12)-cycloalkyl, —(C3-C12)-heterocycloalkyl; R2 is selected from —(C3-C12)-heterocycloalkyl, —(C6-C20)-aryl, —(C3-C20)-heteroaryl; R3 is —(C3-C20)-heteroaryl; and R1, R2 and R3 may each independently be substituted by one or more substituents selected from —(C1-C12)-alkyl, —(C3-C12)-cycloalkyl, —(C3-C12)-heterocycloalkyl, —O—(C1-C12)-alkyl, —O—(C1-C12)-alkyl-(C6-C20)-aryl, —O—(C3-C12)-cycloalkyl, —S—(C1-C12)-alkyl, —S—(C3-C12)-cycloalkyl, —COO—(C1-C12)-alkyl, —COO—(C3-C12)-cycloalkyl, —CONH—(C1-C12)-alkyl, —CONH—(C3-C12)-cycloalkyl, —CO—(C1-C12)-alkyl, —COO—(C3-C12)-cycloalkyl, —N—[(C1-C12)-alkyl]2, —(C6-C20)-aryl, —(C6-C20)-aryl-(C1-C12)-alkyl, —(C6-C20)-aryl-O—(C1-C12)-alkyl, —(C3-C20)-heteroaryl, —(C3-C20)-heteroaryl-(C1-C12)-alkyl, —(C3-C20)-heteroaryl-O—(C1-C12)-alkyl, —COOH, —OH, —SO3H, —NH2, halogen. The invention further relates to Pd complexes comprising the compound according to the invention and to the use thereof in alkoxycarbonylation.

Photochemical Hydroformylation with Cobalt Catalysts in Methanol

The photochemical hydroformylation of 1-octene with cobalt/phosphane complexes in methanol leads under mild conditions (80 deg C, 80 bar CO/H2) with >= 90percent selectivity to linear aldehydes.The reaction rate increases with temperature (Ea = 5 - 6 kcal/mol) and synthesis gas pressure, and is nearly independent of the cobalt source, e.g.Co(OAc)2, Co2(CO)8, or Co2(CO)6(PBu3)2.At low pressures hydroesterification is the preferred photoreaction of 1-octene.Isoprene reacts under similar conditions to give unsaturated oxoproducts and linear isoprene dimers.With unmodified octacarbonyldicobalt the hydroformylation of internal olefins is enhanced by UV light, but not the reaction of terminal olefins or dienes.UV irradiation of cobalt acetate under hydroformylation conditions leads to rapid reduction of the Co(II) species, thus decreasing the induction period from ca. 15 h (without irradiation) to ca. 30 min.