3-Cyclohexene-1,1-dimethanol

Base Information

• Chemical Name: 3-Cyclohexene-1,1-dimethanol
• CAS No.: 2160-94-3
• Molecular Formula: C8H14 O2
• Molecular Weight: 142.198
• Hs Code.: 2906199090
• European Community (EC) Number: 218-481-2
• NSC Number: 112688
• DSSTox Substance ID: DTXSID40175968
• Nikkaji Number: J72.728H
• Wikidata: Q69756822
• Mol file: 2160-94-3.mol

Synonyms:3-CYCLOHEXENE-1,1-DIMETHANOL;2160-94-3;cyclohex-3-ene-1,1-diyldimethanol;[1-(hydroxymethyl)cyclohex-3-en-1-yl]methanol;4,4-Bis(hydroxymethyl)cyclohexene;1,1-Bis(hydroxymethyl)-3-cyclohexene;4,4-Bis(hydroxymethyl)-1-cyclohexene;EINECS 218-481-2;Cyclohex-2-ene-1,1-dimethanol;NSC 112688;BRN 2040659;NSC112688;SCHEMBL230030;1,1-dimethylol-3-cyclohexene;3-Cyclohexene-1.1-dimethanol;YXEBFFWTZWGHEY-UHFFFAOYSA-;DTXSID40175968;CAA16094;4,4-bis[(hydroxy)methyl]cyclohexene;STK709214;AKOS005258313;NSC-112688;LS-57506;CS-0318303;FT-0615561;[1-(hydroxymethyl)-1-cyclohex-3-enyl]methanol;EN300-344180;3-06-00-04131 (Beilstein Handbook Reference);A878995

Chemical Property of 3-Cyclohexene-1,1-dimethanol

Chemical Property:

• Vapor Pressure: 0.0119mmHg at 25°C
• Melting Point: 88-90 °C(lit.)
• Refractive Index: 1.4504 (estimate)
• Boiling Point: 115 °C (0.4 mmHg)
• PKA: 14.66±0.10(Predicted)
• Flash Point: 105°C
• PSA: 40.46000
• Density: 1.05g/cm³
• LogP: 0.69750
• Storage Temp.: 2-8°C
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 142.099379685
• Heavy Atom Count: 10
• Complexity: 125

Purity/Quality:

99%, ^*data from raw suppliers

Cyclohex-3-ene-1,1-diyldimethanol 95+% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22-36/37/38
• Safety Statements: 36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1CC(CC=C1)(CO)CO
• Uses: 3-Cyclohexene-1,1-dimethanol can be used to prepare epoxy resins.

Technology Process of 3-Cyclohexene-1,1-dimethanol

There total 5 articles about 3-Cyclohexene-1,1-dimethanol 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:

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 3-Cyclohexene-1-carboxaldehyde (100-50-5,61746-36-9) → 4,4-bis(hydroxylmethyl)cyclohexene (2160-94-3)

Guidance literature:

With potassium hydroxide; In ethanol; Heating;

Reference yield:

→ 4,4-bis(hydroxylmethyl)cyclohexene (2160-94-3)

Guidance literature:

With methanol; formaldehyd; at 70 ℃; weiteres Reagens: KOH; weitere Angaben: zuletzt bei Siedetemperatur;

DOI:10.1021/ja01259a002

Reference yield:

cyclohex-3-ene-1,1-dicarboxylic acid diethyl ester (38511-09-0) → 4,4-bis(hydroxylmethyl)cyclohexene (2160-94-3)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 20 ℃; for 7h;

DOI:10.1021/ol0483293

upstream raw materials:

formaldehyd

3-Cyclohexene-1-carboxaldehyde

cyclohex-3-ene-1,1-dicarboxylic acid diethyl ester

Downstream raw materials:

1,1-bis(hydroxymethyl)cyclohexane

4,4-Bis(brommethyl)-1-cyclohexen

4,4-ditrityloxymethylcyclohexene

4,4-bis-(tert-butoxymethyl)-cyclohexene

Refernces

• 1、 -. "4,4-BIS[(ETHENYLOXY)METHYL]CYCLOHEXENE AND METHOD FOR PRODUCING SAME". Paragraph 0020; 0021; 0022; 0023; 0024. . Retrieved 2014/03/24.
• 2、 -. "Organotin-containing composition for the stabilization of polymers of vinyl chloride". . . Retrieved 2008/06/13.