2-Cyclohexene-1-propanol, alpha,2,6,6-tetramethyl-

Base Information

• Chemical Name: 2-Cyclohexene-1-propanol, alpha,2,6,6-tetramethyl-
• CAS No.: 13720-37-1
• Molecular Formula: C13H24O
• Molecular Weight: 196.333
• European Community (EC) Number: 237-285-8
• DSSTox Substance ID: DTXSID70884632
• Nikkaji Number: J157.829D
• Wikidata: Q82863271
• Mol file: 13720-37-1.mol

Synonyms:13720-37-1;EINECS 237-285-8;4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-2-butanol;AI3-32387;2-Cyclohexene-1-propanol, alpha,2,6,6-tetramethyl-;2-Cyclohexene-1-propanol, .alpha.,2,6,6-tetramethyl-;alpha,2,6,6-Tetramethylcyclohex-2-ene-1-propan-1-ol;dihydro-I(2)-ionol;SCHEMBL1825823;DTXSID70884632;4-(2,6,6-Trimethyl-2-cyclohexenyl)-2-butanol

Chemical Property of 2-Cyclohexene-1-propanol, alpha,2,6,6-tetramethyl-

Chemical Property:

• Boiling Point: 264.2°Cat760mmHg
• Flash Point: 94°C
• Density: 0.874g/cm³
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 196.182715385
• Heavy Atom Count: 14
• Complexity: 215

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CCCC(C1CCC(C)O)(C)C

Technology Process of 2-Cyclohexene-1-propanol, alpha,2,6,6-tetramethyl-

There total 20 articles about 2-Cyclohexene-1-propanol, alpha,2,6,6-tetramethyl- 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: 94.0%

7,8-dihydro-α-ionone (31499-72-6) → dihydro-α-ionol (13720-37-1)

Guidance literature:

With methanol; sodium tetrahydroborate; at 0 ℃; for 1.75h;

DOI:10.1002/anie.202108037

Reference yield: 82.0%

alpha-ionone (127-41-3,6901-97-9,14398-36-8,24190-29-2,30685-95-1,31798-12-6,52340-45-1,67529-94-6,67529-95-7) → dihydro-α-ionol (13720-37-1)

Guidance literature:

With hydrogen; silica gel; copper; titanium(IV) oxide; In isopropyl alcohol; at 110 ℃; under 4560 Torr;

DOI:10.1016/S0040-4039(97)01631-6

Reference yield: 50.0%

dihydro-α-ionol (13720-37-1) → (2R,1'RS)-4-(2',6',6'-trimethyl-2'-cyclohexenyl)but-2-yl acetate (3293-45-6,137937-71-4,137937-74-7) + dihyro-α-ionol (13720-37-1,137937-62-3,137937-69-0,137937-72-5,137937-75-8)

Guidance literature:

With vinyl acetate; at 22 ℃; for 24h; lipase PS;

DOI:10.1016/S0040-4020(01)89725-8

upstream raw materials:

7,8-dihydro-α-ionone

alpha-ionone

aluminum isopropoxide

ethanol

Downstream raw materials:

cis-tetrahydroionol

1-(3-Hydroxybutyl)-2,6,6-trimethyl-2-cyclohexen-1-ol

4-(2,6,6-trimethyl-3-oxo-1-cyclohexen-1-yl)butan-2-one

3-acetoxy-1-(2,6,6-trimethyl-cyclohex-2-enyl)-butane