1-Hexanol

Base Information

• Chemical Name: 1-Hexanol
• CAS No.: 111-27-3
• Deprecated CAS: 220713-27-9,525579-86-6
• Molecular Formula: C6H14O
• Molecular Weight: 102.177
• Hs Code.: 2905199090
• European Community (EC) Number: 203-852-3,247-346-0,685-235-2
• ICSC Number: 1084
• NSC Number: 9254
• UN Number: 2282
• UNII: 6CP2QER8GS
• DSSTox Substance ID: DTXSID8021931,DTXSID001022586
• Nikkaji Number: J1.987I
• Wikipedia: 1-Hexanol
• Wikidata: Q76933
• Metabolomics Workbench ID: 3207
• ChEMBL ID: CHEMBL14085
• Mol file: 111-27-3.mol

Synonyms:Epal 6;NSC 9254;Pentylcarbinol;n-Hexan-1-ol;n-Hexanol;n-Hexylalcohol;Hexylalcohol (8CI);1-Hexyl alcohol;1-Hydroxyhexane;Amylcarbinol;Caproyl alcohol;1-Hexanol;

Chemical Property of 1-Hexanol

Chemical Property:

• Appearance/Colour: Colourless liquid
• Melting Point: -52 °C(lit.)
• Refractive Index: n20/D 1.418(lit.)
• Boiling Point: 158.153 °C at 760 mmHg
• PKA: 15.38±0.10(Predicted)
• Flash Point: 60 °C
• PSA: 20.23000
• Density: 0.817 g/cm³
• LogP: 1.55900
• Water Solubility.: 6 g/L (25℃)
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 102.104465066
• Heavy Atom Count: 7
• Complexity: 27.4
• Transport DOT Label: Flammable Liquid

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn:Harmful
• Statements: R22:
• Safety Statements: S24/25:

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Solvents -> Alcohols (
• Canonical SMILES: CCCCCCO
• Inhalation Risk: No indication can be given about the rate at which a harmful concentration of this substance in the air is reached on evaporation at 20 °C.
• Effects of Short Term Exposure: The substance is irritating to the respiratory tract and skin. The substance is severely irritating to the eyes. If this liquid is swallowed, aspiration into the lungs may result in chemical pneumonitis.
• Effects of Long Term Exposure: The substance defats the skin, which may cause dryness or cracking.

Technology Process of 1-Hexanol

There total 520 articles about 1-Hexanol 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: 95.0%

4-chlorobenzenesulfonic acid n-hexylester (69564-60-9) → 4-chlorobenzenesulfinic acid (100-03-8) + hexan-1-ol (111-27-3)

Guidance literature:

With lithium amalgam; In 1,4-dioxane; isopropyl alcohol; at 23 ℃; for 2h;

Reference yield: 81.0%

benzyl hexyl ether (61103-84-2) → 1-hexyl nitrite (638-51-7) + benzaldehyde (100-52-7) + hexanal (66-25-1) + hexan-1-ol (111-27-3)

Guidance literature:

With nitric acid; In dichloromethane; at 20 ℃; for 1h; Further byproducts given;

DOI:10.1002/ejoc.200390090

Reference yield: 70.0%

hexyl benzoate (6789-88-4) → benzyl alcohol (100-51-6,185532-71-2) + hexan-1-ol (111-27-3)

Guidance literature:

With 15-crown-5; (1-(2-(2,3-diisopropyl-1-methylguanidino)ethyl)-3-mesityl-1,3-dihydro-2H-imidazol-2-ylidene)copper(I) chloride; hydrogen; sodium t-butanolate; In 1,4-dioxane; at 60 ℃; for 24h; Overall yield = 96 percent; Inert atmosphere;

DOI:10.1021/jacs.1c09626

upstream raw materials:

ethanol

2-hexene

(2E,4E)-ethyl hexa-2,4-dienoate

oxirane

Downstream raw materials:

2-hexyloxyethanol

3-oxo-butyric acid-n-hexyl ester

dihexyl fumarate

hexyl nicotinate

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 111-27-3 1-Hexanol

Send

Send

Metric Ton KG G Pound L ML

Send

Send