Cyclohexanemethanol, alpha,3,3-trimethyl-, formate

Base Information

• Chemical Name: Cyclohexanemethanol, alpha,3,3-trimethyl-, formate
• CAS No.: 25225-08-5
• Deprecated CAS: 33677-08-6
• Molecular Formula: C11H20O2
• Molecular Weight: 184.279
• Hs Code.: 2915120000
• European Community (EC) Number: 246-735-2
• DSSTox Substance ID: DTXSID20865193
• Nikkaji Number: J236.094B
• Mol file: 25225-08-5.mol

Synonyms:25225-08-5;APHERMATE;1-(3,3-dimethylcyclohexyl)ethyl formate;Cyclohexanemethanol, alpha,3,3-trimethyl-, formate;alpha,3,3-Trimethylcyclohexylmethyl formate;EINECS 246-735-2;a,3,3 - trimethylcyclohexylmethyl formate;Formicacid1-(3,3-dimethyl-cyclohexyl)-ethylester;Cyclohexanemethanol, .alpha.,3,3-trimethyl-, formate;Cyclohexanemethanol, alpha,3,3-trimethyl-, 1-formate;Cyclohexane-1-methanol, alpha,3,3-trimethyl-, formate;ABL7XFD0MO;UNII-ABL7XFD0MO;(1R)-1-((1S)-3,3-Dimethylcyclohexyl)ethyl formate;l-Cyclocitronellene formate;Cyclohexanemethanol, ?,3,3-trimethyl-, formate;SCHEMBL872710;DTXSID20865193;(3,3-Dimethylcyclohexyl)ethyl formate;AKOS006271908;1,3,3-Trimethylcyclohexylmethyl formate;alpha,3,3-Trimethylcyclohexanemethanol formate;Ciclohexanometanol, ?,3,3-trimetil-, 1-formato;W-110614

Chemical Property of Cyclohexanemethanol, alpha,3,3-trimethyl-, formate

Chemical Property:

• Boiling Point: 229.9±9.0 °C(Predicted)
• Flash Point: 101.1oC
• PSA: 26.30000
• Density: 0.918±0.06 g/cm3(Predicted)
• LogP: 3.40020
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 184.146329876
• Heavy Atom Count: 13
• Complexity: 175

Purity/Quality:

99% ^*data from raw suppliers

Formicacid1-(3,3-dimethyl-cyclohexyl)-ethylester,85-100%(GC),KOSHERHazmat 85-100%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C1CCCC(C1)(C)C)OC=O

Technology Process of Cyclohexanemethanol, alpha,3,3-trimethyl-, formate

There total 3 articles about Cyclohexanemethanol, alpha,3,3-trimethyl-, formate 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:

dihydromyrcene (2436-90-0) → aphermate (25225-08-5)

Guidance literature:

With sulfuric acid; at 100 ℃; for 8h; Reagent/catalyst; Temperature; Large scale;

Reference yield:

formic acid (64-18-6) + dihydromyrcene (2436-90-0) → aphermate (25225-08-5)

Guidance literature:

With sulfuric acid; at 100 ℃; for 8h; Temperature; Large scale;

Reference yield:

→ aphermate (25225-08-5)

Guidance literature:

aus Dihydromycren (III), Ameisensaeure, BF3/ Ether oder H2SO4;

upstream raw materials:

dihydromyrcene

formic acid

Downstream raw materials:

alpha,3,3-trimethylcyclohexanemethanol

Refernces

• 1、 -. "Compound with musk smell, preparation method thereof and daily essence". Paragraph 0059; 0064-0066; 0078; 0082; 0083; 0088; 0092. . Retrieved 2020/06/10.