TRANS-2-METHYLCYCLOHEXANOL

Base Information

Chemical Name:TRANS-2-METHYLCYCLOHEXANOL
CAS No.:7443-52-9
Molecular Formula:C7H14 O
Molecular Weight:114.188
Hs Code.:2906120010
European Community (EC) Number:231-186-3
DSSTox Substance ID:DTXSID301032693
Nikkaji Number:J231.800H
Mol file:7443-52-9.mol

Synonyms:Cyclohexanol,2-methyl-, trans- (8CI); (?à)-trans-2-Methylcyclohexanol; NSC 244887; NSC 245854;rel-(1S,2S)-2-Methylcyclohexanol; trans-1-Hydroxy-2-methylcyclohexane;trans-2-Methyl-1-cyclohexanol; trans-2-Methylcyclohexanol

Suppliers and Price of TRANS-2-METHYLCYCLOHEXANOL

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
trans-2-Methylcyclohexanol
100mg
$ 60.00

TRC
trans-2-Methylcyclohexanol
50mg
$ 45.00

TCI Chemical
trans-2-Methylcyclohexanol >98.0%(GC)
5mL
$ 409.00

Sigma-Aldrich
trans-2-Methylcyclohexanol 99%
5g
$ 83.50

Sigma-Aldrich
trans-2-Methylcyclohexanol 99%
1g
$ 31.00

Crysdot
trans-2-Methylcyclohexanol 95+%
10g
$ 314.00

AK Scientific
trans-2-Methylcyclohexanol
1g
$ 89.00

AHH
trans-2-Methylcyclohexanol 98%
25ml
$ 470.00

Total 17 raw suppliers

Chemical Property of TRANS-2-METHYLCYCLOHEXANOL

Chemical Property:

Melting Point:−21 °C(lit.)
Refractive Index:n20/D 1.461(lit.)
Boiling Point:167.2-167.6 °C(lit.)
PKA:15.33±0.40(Predicted)
Flash Point:138 °F
PSA：20.23000
Density:0.924 g/mL at 25 °C(lit.)
LogP:1.55740
Water Solubility.:Slightly soluble in water
XLogP3:1.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:0
Exact Mass:114.104465066
Heavy Atom Count:8
Complexity:70.8

Purity/Quality:

98%,99%, ^*data from raw suppliers

trans-2-Methylcyclohexanol ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xn
Hazard Codes:Xn
Statements: 20/21/22-36/37/38-20
Safety Statements: 26-36/37/39-38-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Canonical SMILES:CC1CCCCC1O
Isomeric SMILES:C[C@@H]1CCCC[C@H]1O
Uses 2-Methylcyclohexanol was used in the fragment-based crystallographic screening against HIV protease.

Technology Process of TRANS-2-METHYLCYCLOHEXANOL

There total 141 articles about TRANS-2-METHYLCYCLOHEXANOL 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: 38.0%

: 583-59-5
2-Methylcyclohexanol

: 7443-52-9
(+/-)-trans-2-methylcyclohexanol

: 583-60-8
2-Methylcyclohexanone

Guidance literature:: With 2,2,6,6-tetramethyl-piperidine-N-oxyl; dimethylsulfide; oxygen; copper(I) bromide dimethylsulfide complex; 6,6'-bis(C₈F₁₇(CH₂)4)-2,2'-bipyridine; In chlorobenzene; at 90 ℃; for 9.5h;
DOI:10.1016/S0040-4020(02)00250-8

Reference yield:

: 82166-21-0
methyl cyclohexane

: 590-67-0
1-Methylcyclohexanol

: 7731-29-5
trans-4-methylcyclohexan-1-ol

: 7731-28-4
cis-4-methylcyclohexanol

: 7443-52-9
(+/-)-trans-2-methylcyclohexanol

: 7443-70-1
cis-2-methylcyclohexanol

: 7443-55-2
rac-trans-3-methylcyclohexanol

: 5454-79-5
cis-3-methylcyclohexanol

: 589-92-4
1-methylcyclohexan-4-one

: 583-60-8
2-Methylcyclohexanone

: 100-49-2
cyclohexylmethyl alcohol

: 2043-61-0
cyclohexanecarbaldehyde

: 591-24-2,625-96-7
3-Methylcyclohexanone

Guidance literature:: With C₂₂H₁₇BClF₉N₆NiO₃; at 70 ℃; for 6h; Inert atmosphere;
DOI:10.1021/ja4020277

Reference yield:

: 591-49-1
1-methylcyclohex-1-ene

: 591-23-1
m-methylcyclohexanol

: 7443-52-9
(+/-)-trans-2-methylcyclohexanol

: 100-49-2
cyclohexylmethyl alcohol

Guidance literature:: With alkaline hydrogen peroxide; borane; Yield given. Multistep reaction. Yields of byproduct given; 1) THF, reflux, 10 h;
DOI:10.1246/cl.1980.461