2051-50-5

Basic information

• Product Name: 1-methylheptyl acetate
• Synonyms: 1-methylheptyl acetate;octylacetate,2-octylacetate;2-Octanol acetate;Acetic acid octan-2-yl ester;2-Acetoxyoctane;Nsc65620
• CAS NO: 2051-50-5
• Molecular Formula: C₁₀H₂₀O₂
• Molecular Weight: 172.2646
• EINECS: 218-123-5
• Mol File: 2051-50-5.mol
• Article Data: 83

Chemical Properties

• Melting Point: -65.75°C (estimate)
• Boiling Point: 202.6°C (estimate)
• Flash Point: 71.4°C
• Appearance: /
• Density: 0.8771 (estimate)
• Refractive Index: 1.4063 (estimate)
• CAS DataBase Reference: 1-methylheptyl acetate(CAS DataBase Reference)
• NIST Chemistry Reference: 1-methylheptyl acetate(2051-50-5)
• EPA Substance Registry System: 1-methylheptyl acetate(2051-50-5)

Safety Data

• Hazardous Substances Data: 2051-50-5(Hazardous Substances Data)

Usage

Synthesis Reference(s)

The Journal of Organic Chemistry, 61, p. 3088, 1996 DOI: 10.1021/jo952168mSynthetic Communications, 10, p. 279, 1980 DOI: 10.1080/00397918008062751

InChI:InChI=1S/C10H20O2/c1-4-5-6-7-8-9(2)12-10(3)11/h9H,4-8H2,1-3H3

Upstream product

• 463-51-4 Ketene 
• 4128-31-8 rac-octan-2-ol 
• 64-19-7 acetic acid 
• 557-35-7 2-bromooctane 
• 111-65-9 octane 
• 546-67-8 lead(IV) tetraacetate 
• 76085-61-5 acetyl 2-methyloctanoyl peroxide 
• 97567-68-5 octan-2-yl phenyl telluride 
• 53060-25-6 2-octyl tert-butyldimethylsilyl ether 
• 75-36-5 acetyl chloride 
• 243990-72-9 acetic acid 1-(2,5-dichloro-phenyl)-2,2-bis-methylsulfanyl-vinyl ester 
• 111-66-0 oct-1-ene 
• 26735-84-2 oct-1-en-2-yl acetate 
• 112-05-0 nonanoic acid 

Downstream Products

• 4128-31-8 rac-octan-2-ol 
• 113301-48-7 (S)-2-octanol 
• 5978-70-1 (R)-Octan-2-ol 
• 36283-44-0 N-acetyl-1-phenylethylamine 
• 3540-05-4 (S)-1-methylheptyl acetate 
• 13921-16-9 (1-methylheptyl)thiobenzene 
• 6169-06-8 (S)-2-Octanol 
• 7214-64-4 2-octyl nitrate 
• 111-14-8 oenanthic acid 
• 142-62-1 hexanoic acid 
• 109-52-4 valeric acid 

Relevant articles and documents

Copolymerization of vinyl acetate with ethylene by palladium/ alkylphosphine-sulfonate catalysts

(Chemical Equation Presented) Coordination copolymerization of vinyl acetate (VAc) with ethylene, leading to linear copolymers that possess in-chain -CH2CH(OAc)- units, has been accomplished using novel palladium complexes bearing alkylphosphine-sulfonate ligands.

Consecutive addition esterification and hydrolysis of cyclic olefins catalyzed by multi-SO3H functionalized multi heteropolyanion-based ionic hybrids undersolvent-free conditions

An efficient protocol for the synthesis of cycloalkyl carboxylates and alcohols from cyclic olefins is described. The cyclic olefins were converted to corresponding target molecules under solvent-free conditions catalyzed by two novel multi-SO3H functionalized multi heteropolyanion-based ionic hybrids through one-pot consecutive addition esterification and hydrolysis reactions. This approach has several advantages, including high yield, simple workup and simple purification.

Enzymatic kinetic resolution of aliphatic sec-alcohols by LipG9, a metagenomic lipase

Bioprospection for new enantioselective enzymes for application in organic synthesis is a prominent area of investigation in biocatalysis. In this context, here we present the evaluation of an immobilized lipase isolated from a metagenomic library (LipG9) for the enzymatic kinetic resolution (EKR) of aliphatic sec-alcohols, which are still challenging substrates, since low enantioselectivity values are usually observed for these resolutions. LipG9 was successfully employed in EKR of aliphatic alcohols, which were resolved with satisfactory conversions (19-59%) and enantiomeric excesses for alcohols (26-88%) and esters (30-96%) by transesterification reactions, demonstrating that its performance is equal to or better than commercially available enzymes for the same reaction.