2-Methyl-1-butanol

Base Information

• Chemical Name: 2-Methyl-1-butanol
• CAS No.: 137-32-6
• Deprecated CAS: 34713-94-5
• Molecular Formula: C5H12O
• Molecular Weight: 88.1497
• Hs Code.: 29051500
• European Community (EC) Number: 205-289-9
• ICSC Number: 0506
• NSC Number: 8431
• UN Number: 1105
• UNII: 7VTJ239ASU
• DSSTox Substance ID: DTXSID5027069
• Nikkaji Number: J2.022B
• Wikipedia: 2-Methyl-1-butanol
• Wikidata: Q209425
• Metabolomics Workbench ID: 3194
• ChEMBL ID: CHEMBL451923
• Mol file: 137-32-6.mol

Synonyms:2-methylbutanol

Chemical Property of 2-Methyl-1-butanol

Chemical Property:

• Appearance/Colour: clear colorless to very slighlty yellow liquid
• Vapor Pressure: 4.76mmHg at 25°C
• Melting Point: -70 °C(lit.)
• Refractive Index: n20/D 1.411
• Boiling Point: 128.7 °C at 760 mmHg
• Flash Point: 43.3 °C
• PSA: 20.23000
• Density: 0.809 g/cm³
• LogP: 1.02480
• Water Solubility.: 3.6 g/100 mL (30℃)
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 88.088815002
• Heavy Atom Count: 6
• Complexity: 27.1

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn:Harmful
• Statements: R10:; R20:; R37:; R66:
• Safety Statements: S46:

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Solvents -> Alcohols (
• Canonical SMILES: CCC(C)CO
• Inhalation Risk: A harmful contamination of the air will be reached rather slowly on evaporation of this substance at 20 °C.
• Effects of Short Term Exposure: The substance is irritating to the eyes, skin and respiratory tract. If this liquid is swallowed, aspiration into the lungs may result in chemical pneumonitis. The substance may cause effects on the central nervous system.
• Effects of Long Term Exposure: The substance defats the skin, which may cause dryness or cracking.

Technology Process of 2-Methyl-1-butanol

There total 89 articles about 2-Methyl-1-butanol 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: 87.0%

2-methylenesuccinic acid (97-65-4,25119-64-6) → (+/-)-2-methyl-1-butanol (137-32-6) + 2-methyl-1,4-butandiol (2938-98-9)

Guidance literature:

With hydrogen; In water; at 130 ℃; for 30h; under 37503.8 Torr; Pressure; Reagent/catalyst; Autoclave;

Reference yield: 86.0%

2-Methyl-1-butene (563-46-2) → (+/-)-2-methyl-1-butanol (137-32-6)

Guidance literature:

2-Methyl-1-butene; With diborane; In dichloromethane; at -16 ℃; for 0.0833333h;

With dihydrogen peroxide; In sodium hydroxide;

DOI:10.1016/S0040-4039(00)01320-4

Reference yield: 80.0%

2-Methylbutyraldehyde (96-17-3,57456-98-1) → (+/-)-2-methyl-1-butanol (137-32-6)

Guidance literature:

With isopropyl alcohol; zirconium(IV) oxide; for 6h; Rate constant; Heating;

DOI:10.1246/bcsj.61.3283

upstream raw materials:

1,3,5-Trioxan

sec-butylmagnesium bromide

methanol

ethanol

Downstream raw materials:

2-methylbutyl acetate

(2-methylbutyl)butyl ether

2-tert-amyl-4-methylphenol

phosphoric acid-(2-methyl-butyl ester)-diphenyl ester

Refernces

• 1、 Isakov, Vladimir E.,Kulinkovich, Oleg G.. "Highly stereoselective allylic ethylation with alkoxytitanacyclopropane reagents. Synthesis of (1R/S,7R)-1,7-dimethylnonyl propanoate, the Western corn rootworm sex attractant". . p. 6959 - 6961. Retrieved 2008.
• 2、 Morrison,Ridgway. "". . p. 3107,3109. Retrieved 1974.
• 3、 Kobylarski, Marie,Monsigny, Louis,Thuéry, Pierre,Berthet, Jean-Claude,Cantat, Thibault. "Uranyl(VI) Triflate as Catalyst for the Meerwein-Ponndorf-Verley Reaction". supporting information. p. 16140 - 16148. Retrieved 2021/11/01.
• 4、 Chen, Jing,Zhou, Lei,Liu, Yi-Fan,Hou, Zhao-Wei,Li, Wei,Mbadinga, Serge Maurice,Zhou, Jing,Yang, Tao,Liu, Jin-Feng,Yang, Shi-Zhong,Wu, Xiao-Lin,Gu, Ji-Dong,Mu, Bo-Zhong. "Synthesis and mass spectra of rearrangement bio-signature metabolites of anaerobic alkane degradation via fumarate addition". . . Retrieved 2020/05/01.