Tetradecanol

• CAS: 112-72-1
• Catalog Number: ACM112721
• Category: Alcohols; Fatty Alcohols
• Molecular Weight: 214.36
• Molecular Formula: C14H30O
• Description: Tetradecanol is a colorless thick liquid (heated) with a faint alcohol odor. Solidifies and floats on water. (USCG, 1999);Liquid; OtherSolid; OtherSolid, Liquid; PelletsLargeCrystals; WetSolid;Liquid;DryPowder; Liquid; WetSolid; WetSolid, Liquid;Liquid;OtherSolid;Liquid;Solid;Solid
• Synonyms: Myristyl alcohol
• IUPAC Name: tetradecan-1-ol
• Canonical SMILES: CCCCCCCCCCCCCCO
• InChI: InChI=1S/C14H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h15H,2-14H2,1H3
• InChI Key: HLZKNKRTKFSKGZ-UHFFFAOYSA-N
• Boiling Point: 289 °C (lit.)
• Melting Point: 35-39 °C (lit.)
• Flash Point: 285 °F (USCG, 1999);285 °F (141 °C) (Open cup)
• Density: 0.824 at 100.4 °F (USCG, 1999);0.823 at 40 °C
• Solubility: 1.12e-06 M;0.000191 mg/mL at 25 °C;In water, 1.91X10-1 mg/L at 25 °C;In water, 0.30 mg/L at 25 °C;Very soluble in ethanol, ether, acetone, benzene, chloroform;Soluble in ether, slightly soluble in alcohol
• Appearance: Solid
• Storage: Room temperature
• Alcohol: Myristyl
• CNo.Chain: C14:0
• Color/Form: White solid;White crystals;Leaflets
• Complexity: 102
• Covalently-Bonded Unit Count: 1
• Decomposition: When heated to decomposition it emits acrid smoke and irritating fumes.
• EC Number: 616-261-4;272-490-6;204-000-3;268-107-7;275-983-4;264-118-6;267-019-6
• Exact Mass: 214.229666g/mol
• Formal Charge: 0
• Hazard Statements: H315-H319-H335
• H-Bond Acceptor: 1
• H-Bond Donor: 1
• Heat of Vaporization: 98.9 kJ/mol at 25 °C
• Heavy Atom Count: 15
• LogP: 6.03 (LogP);6.03;log Kow = 6.03;6.03
• Monoisotopic Mass: 214.229666g/mol
• NSC Number: 8549
• Other Experimental: Bulk density = 7.0 lb/gal; specific gravity: 0.8355 at 20 °C/20 °C;Density: 0.8236 g/cu cm at 38 °C;Liquid Molar Volume = 0.2604 cu m/kmol (determined at the triple point); IG Heat of Formation = -4.8409X10+8 J/kmol; Heat of Fusion at Melting Point = 4.9510X10+7 J/kmol (determined for the beta form);Henry's Law constant = 1.0399X10-4 atm-cu m/mol at 25 °C;Hydroxyl radical reaction rate constant = 2.1X10-11 cu cm/molec-sec at 25 °C (est)
• Physical State: Solid
• Refractive Index: Index of refraction = 1.4358 at 50 °C
• RIDADR: UN 2811 6.1 / PGIII
• Rotatable Bond Count: 12
• Symbol: GHS07
• UNII: V42034O9PU
• Vapor Density: 7.39 (Air = 1)
• Vapor Pressure: 1.10e-04 mmHg;1.1X10-4 mm Hg at 25 °C
• XLogP3: 6.2

Custom Q&A

What is the molecular formula of 1-Tetradecanol?

The molecular formula of 1-Tetradecanol is C14H30O.

What is the molecular weight of 1-Tetradecanol?

The molecular weight of 1-Tetradecanol is 214.39 g/mol.

What is the IUPAC name of 1-Tetradecanol?

The IUPAC name of 1-Tetradecanol is tetradecan-1-ol.

What is the InChI of 1-Tetradecanol?

The InChI of 1-Tetradecanol is InChI=1S/C14H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h15H,2-14H2,1H3.

What is the InChIKey of 1-Tetradecanol?

The InChIKey of 1-Tetradecanol is HLZKNKRTKFSKGZ-UHFFFAOYSA-N.

What is the canonical SMILES of 1-Tetradecanol?

The canonical SMILES of 1-Tetradecanol is CCCCCCCCCCCCCCO.

What is the CAS number of 1-Tetradecanol?

The CAS number of 1-Tetradecanol is 112-72-1.

What is the EC number of 1-Tetradecanol?

The EC number of 1-Tetradecanol is 616-261-4.

What is the PubChem CID of 1-Tetradecanol?

The PubChem CID of 1-Tetradecanol is 8209.

What are some synonyms of 1-Tetradecanol?

Some synonyms of 1-Tetradecanol are Tetradecan-1-ol, Myristyl alcohol, and Tetradecanol.

Synthetic Use

Downstream Synthesis Route 1

• 108-22-5
• 112-72-1

• 638-59-5

Reference: [1] Chemical Communications, 2009, # 41, p. 6249 - 6251

Downstream Synthesis Route 2

• 112-72-1
• 20260-53-1

• 273203-62-6

Reference: [1] European Journal of Organic Chemistry, 2004, # 4, p. 835 - 849

Downstream Synthesis Route 3

• 112-72-1

• 112-71-0

Reference: [1] Journal of Organic Chemistry, 1942, vol. 7, p. 229

Downstream Synthesis Route 4

• 111-20-6
• 112-72-1

• 26719-47-1

Reference: [1]Yildirim, Ayhan; Kiraylar, Kaan
[Turkish Journal of Chemistry, 2019, vol. 43, # 3, p. 802 - 808]
[2]Perry; Weber
[Journal of the American Chemical Society, 1949, vol. 71, p. 3730]
[3]Stahl; Pessen
[Journal of the American Chemical Society, 1952, vol. 74, p. 5487,5488]
[4]Schlenk,W.
[Justus Liebigs Annalen der Chemie, 1969, vol. 727, p. 1 - 9]

Downstream Synthesis Route 5

• 112-72-1
• 760-93-0

• 2549-53-3

Reference: [1]Industrial and Engineering Chemistry,1948,vol. 40,p. 1432
Journal of the American Chemical Society,1944,vol. 66,p. 1204

Downstream Synthesis Route 6

• 112-72-1

• 629-50-5

Reference: [1]Adkins; Burks
[Journal of the American Chemical Society, 1948, vol. 70, p. 4176]
Wojcik; Adkins
[Journal of the American Chemical Society, 1933, vol. 55, p. 1293]
[2]Current Patent Assignee: BASF SE - WO2021/224045, 2021, A1
Location in patent: Page/Page column 12-13

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