1-Butoxy-2-propanol

Base Information

• Chemical Name: 1-Butoxy-2-propanol
• CAS No.: 5131-66-8
• Molecular Formula: C7H16O2
• Molecular Weight: 132.203
• Hs Code.: 2909499000
• European Community (EC) Number: 225-878-4
• ICSC Number: 1614
• NSC Number: 2211
• UNII: K0MR13CZ2E
• DSSTox Substance ID: DTXSID8027589
• Nikkaji Number: J50.955H
• Wikidata: Q24762634
• ChEMBL ID: CHEMBL1903014
• Mol file: 5131-66-8.mol

Synonyms:1-tert-butoxypropan-2-ol;butoxy propanol;butoxy propanol, mixed isomers;n-butoxy-2-propanol

Chemical Property of 1-Butoxy-2-propanol

Chemical Property:

• Appearance/Colour: CLEAR COLOURLESS LIQUID
• Vapor Pressure: 1.39hPa at 19.85℃
• Melting Point: < -75 °C
• Refractive Index: n20/D 1.416(lit.)
• Boiling Point: 171.5 °C at 760 mmHg
• PKA: 14.49±0.20(Predicted)
• Flash Point: 54.5 °C
• PSA: 29.46000
• Density: 0.891 g/cm³
• LogP: 1.18390
• Solubility.: Soluble in water
• Water Solubility.: 55g/L at 20℃
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 132.115029749
• Heavy Atom Count: 9
• Complexity: 54.9

Purity/Quality:

99.9% ^*data from raw suppliers

1-Butoxy-2-propanol >96.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38-36/38
• Safety Statements: 26-36/37/39

MSDS Files:

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Solvents -> Glycol Ethers (P Series)
• Canonical SMILES: CCCCOCC(C)O
• 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 eyes and skin.
• Uses: 1-Butoxy-2-propanol can be used in household and industrial cleaners, grease paint removers, metal cleaners, etc.

Technology Process of 1-Butoxy-2-propanol

There total 9 articles about 1-Butoxy-2-propanol 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: 38.5%

methyloxirane (75-56-9,16033-71-9) + butan-1-ol (71-36-3) → 1-butoxy-2-propanol (5131-66-8)

Guidance literature:

With Al₂O₃/MgO composite; at 120 ℃; Inert atmosphere;

DOI:10.1016/j.apcata.2011.09.010

Reference yield:

propylene glycol (57-55-6,63625-56-9) + butyraldehyde (123-72-8) → cis/trans 2-propyl-4-methyl-1,3-dioxolane (4352-99-2) + (R)-2-butoxy-1propanol (15821-83-7) + 1-butoxy-2-propanol (5131-66-8) + butan-1-ol (71-36-3)

Guidance literature:

With hydrogen; palladium 10% on activated carbon; at 180 ℃; for 3h; under 51716.2 Torr; Inert atmosphere;

Reference yield:

methyloxirane (75-56-9,16033-71-9) + butan-1-ol (71-36-3) → (R)-2-butoxy-1propanol (15821-83-7) + 1-butoxy-2-propanol (5131-66-8)

Guidance literature:

With sulfuric acid; bei Siedetemperatur;

DOI:10.1021/ja01208a047

upstream raw materials:

methyloxirane

butan-1-ol

propylene glycol

n-Butyl chloride

Downstream raw materials:

propylene glycol n-butyl ether acetate

formaldehyd

n-butyl formate

acetaldehyde

Refernces

• 1、 Zhang, Jiawei,Cai, Qinghai,Zhao, Jingxiang,Zang, Shuying. "Nano metal oxides as efficient catalysts for selective synthesis of 1-methoxy-2-propanol from methanol and propylene oxide". . p. 4478 - 4482. Retrieved 2018/02/07.
• 2、 -. "Application of ionic liquid in synthesis of propylene glycol ether and synthetic method of propylene glycol ether". Paragraph 0067; 0068; 0069; 0070; 0083; 0084. . Retrieved 2018/03/01.