(1-Methylcyclohexyl)acetate

Base Information

• Chemical Name: (1-Methylcyclohexyl)acetate
• CAS No.: 16737-30-7
• Molecular Formula: C9H16 O2
• Molecular Weight: 156.225
• Hs Code.: 2915390090
• DSSTox Substance ID: DTXSID90591477
• Wikidata: Q82485253
• Mol file: 16737-30-7.mol

Synonyms:2-(1-methylcyclohexyl)acetate;16737-30-7;1-METHYLCYCLOHEXYLACETATE;(1-Methylcyclohexyl)acetate;DTXSID90591477;LTBPRPATSZONGJ-UHFFFAOYSA-M

Chemical Property of (1-Methylcyclohexyl)acetate

Chemical Property:

• Boiling Point: 74 °C(Press: 20 Torr)
• PSA: 40.13000
• Density: 0.957 g/cm3
• LogP: 1.09680
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 155.107204717
• Heavy Atom Count: 11
• Complexity: 140

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CCCCC1)CC(=O)[O-]

Technology Process of (1-Methylcyclohexyl)acetate

There total 19 articles about (1-Methylcyclohexyl)acetate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 100.0%

1-Methylcyclohexanol (590-67-0) + acetic anhydride (108-24-7) → 1-acetoxy-1-methyl-cyclohexane (16737-30-7)

Guidance literature:

With trimethylsilyl trifluoromethanesulfonate; at -10 ℃; for 0.0333333h;

DOI:10.1021/jo980011z

Reference yield: 92.0%

Isopropenyl acetate (108-22-5) + 1-Methylcyclohexanol (590-67-0) → 1-acetoxy-1-methyl-cyclohexane (16737-30-7)

Guidance literature:

With Cp*2Sm(THF)2; cyclohexanone oxime acetate; In toluene; at 25 ℃; for 15h;

DOI:10.1021/jo971204+

Reference yield: 91.0%

1-Methylcyclohexanol (590-67-0) → 1-methylcyclohex-1-ene (591-49-1) + 1-acetoxy-1-methyl-cyclohexane (16737-30-7)

Guidance literature:

With acetic anhydride; scandium tris(trifluoromethanesulfonate); In acetonitrile; at -20 ℃; for 5h;

DOI:10.1021/ja00120a030

upstream raw materials:

1-bromo-1-methylcyclohexane

silver(I) acetate

1-Methylcyclohexanol

acetic anhydride

Downstream raw materials:

1-methylcyclohex-1-ene

methylenecyclohexane

1-Methylcyclohexanol

N-(1-methylcyclohexyl)acetamide