Trans-4-Methylcyclohexanol

• CAS: 7731-29-5
• Catalog Number: ACM7731295
• Category: Alcohols
• Molecular Weight: 114.19
• Molecular Formula: C7H14O
• Synonyms: Cyclohexanol, 4-Methyl-, Trans-
• IUPAC Name: 4-methylcyclohexan-1-ol
• Canonical SMILES: CC1CCC(CC1)O
• InChI: InChI=1S/C7H14O/c1-6-2-4-7(8)5-3-6/h6-8H,2-5H2,1H3
• InChI Key: MQWCXKGKQLNYQG-UHFFFAOYSA-N
• Boiling Point: 170.3±8.0 °C at 760 mmHg
• Flash Point: 70.0±0.0 °C
• Density: 0.9±0.1 g/cm3
• Hazard Statements: H302 + H332-H319
• Refractive Index: 1.463
• RIDADR: UN 1987C 3 / PGIII
• Symbol: GHS07

Custom Q&A

What is the molecular formula of trans-4-Methylcyclohexanol?

The molecular formula of trans-4-Methylcyclohexanol is C7H14O.

What is the molecular weight of trans-4-Methylcyclohexanol?

The molecular weight of trans-4-Methylcyclohexanol is 114.19 g/mol.

What is the IUPAC name of trans-4-Methylcyclohexanol?

The IUPAC name of trans-4-Methylcyclohexanol is 4-methylcyclohexan-1-ol.

What is the InChI of trans-4-Methylcyclohexanol?

The InChI of trans-4-Methylcyclohexanol is InChI=1S/C7H14O/c1-6-2-4-7(8)5-3-6/h6-8H,2-5H2,1H3.

What is the InChIKey of trans-4-Methylcyclohexanol?

The InChIKey of trans-4-Methylcyclohexanol is MQWCXKGKQLNYQG-UHFFFAOYSA-N.

What is the canonical SMILES of trans-4-Methylcyclohexanol?

The canonical SMILES of trans-4-Methylcyclohexanol is CC1CCC(CC1)O.

What is the CAS number of trans-4-Methylcyclohexanol?

The CAS number of trans-4-Methylcyclohexanol is 589-91-3.

What is the European Community (EC) number of trans-4-Methylcyclohexanol?

The European Community (EC) number of trans-4-Methylcyclohexanol is 209-664-8.

What is the UN number of trans-4-Methylcyclohexanol?

The UN number of trans-4-Methylcyclohexanol is 2617.

What is the XLogP3 value of trans-4-Methylcyclohexanol?

The XLogP3 value of trans-4-Methylcyclohexanol is 1.8.

Synthetic Use

Upstream Synthesis Route 1

• 106-44-5

• 7731-29-5

Reference: [1]Boeeseken; Felix
[Chemische Berichte, 1929, vol. 62, p. 1314]
Brochet
[Bulletin de la Societe Chimique de France, 1922, vol. <4> 31, p. 1279]
Eisenlohr
[Fortschritte der Chemie, Physik und physikalischen Chemie, vol. 18, p. 562]

Upstream Synthesis Route 2

• 589-92-4

• 7731-29-5

Reference: [1]Cha; Moon; Park
[Journal of Organic Chemistry, 2001, vol. 66, # 22, p. 7514 - 7515]

Downstream Synthesis Route 1

• 7731-29-5

• 589-92-4

Reference: [1]Takano, Seiichi; Inomata, Kohei; Tomita, Shun'ichi; Yanase, Masashi; Samizu, Kyiohiro; Ogasawara, Kunio
[Tetrahedron Letters, 1988, vol. 29, # 50, p. 6619 - 6620]
[2]Eisenlohr
[vol. 18, p. 565][Chemisches Zentralblatt, 1926, vol. 97, # I, p. 75]
[3]Sharma, S. N.; Sonawane, H. R.; Dev, Sukh
[Tetrahedron, 1985, vol. 41, # 12, p. 2483 - 2492]

* For details of the synthesis route, please refer to the original source to ensure accuracy.