3-Methyl-1-pentanol

Base Information

• Chemical Name: 3-Methyl-1-pentanol
• CAS No.: 589-35-5
• Deprecated CAS: 20281-83-8,343268-11-1
• Molecular Formula: C₆H₁₄O
• Molecular Weight: 102.177
• Hs Code.: 29051990
• European Community (EC) Number: 209-644-9
• NSC Number: 9466
• UNII: N8W93SI0FS
• DSSTox Substance ID: DTXSID20862248
• Nikkaji Number: J94.876D
• Wikipedia: 3-Methyl-1-pentanol
• Wikidata: Q3278324
• Metabolomics Workbench ID: 3201
• Mol file: 589-35-5.mol

Synonyms:3-methyl-1-pentanol

Chemical Property of 3-Methyl-1-pentanol

Chemical Property:

• Appearance/Colour: clear colorless liquid
• Vapor Pressure: 1.26mmHg at 25°C
• Melting Point: -48.42°C (estimate)
• Refractive Index: n20/D 1.418(lit.)
• Boiling Point: 153 °C at 760 mmHg
• PKA: 15.21±0.10(Predicted)
• Flash Point: 58.9 °C
• PSA: 20.23000
• Density: 0.814 g/cm³
• LogP: 1.41490
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility.: 4.282g/L(25 oC)
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 102.104465066
• Heavy Atom Count: 7
• Complexity: 35.2

Purity/Quality:

99.5% ^*data from raw suppliers

3-Methyl-1-pentanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 10-36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)CCO
• Description: 3-Methyl-l-pentanol has a fruity, green, slightly pungent odor.

Technology Process of 3-Methyl-1-pentanol

There total 39 articles about 3-Methyl-1-pentanol 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: 100.0%

Ru((-)-T-BINAP)2 (O2 CCH3)2 + (2E)-3-methyl-2-penten-1-ol (30801-95-7) → 3-methyl-1-pentanol (589-35-5,20281-83-8)

Guidance literature:

In methanol;

Reference yield: 94.0%

3-methylvaleric acid (105-43-1,22160-40-3) → 3-methyl-1-pentanol (589-35-5,20281-83-8)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether; for 2h; Heating;

DOI:10.1007/BF00630662

Reference yield: 82.0%

carbon monoxide (201230-82-2) + isoprene (78-79-5,9003-31-0) → 2,3-dimethylbutanol (19550-30-2,20281-85-0) + 3-methyl-1-pentanol (589-35-5,20281-83-8) + 4-Methyl-1-pentanol (626-89-1)

Guidance literature:

With dodecacarbonyl-triangulo-triruthenium; 2-(dicyclohexylphosphino)-1-methyl-1H-imidazole; water; hydrogen; lithium chloride; In 1-methyl-pyrrolidin-2-one; at 130 ℃; for 20h; under 60 Torr; regioselective reaction; Autoclave;

DOI:10.1002/anie.201207133

upstream raw materials:

ethyl 3-methylpent-2-enoate

3-methyl-2-pentene-1-ol

oxirane

s-butylmagnesium chloride

Downstream raw materials:

trimethyl-(3-methyl-pentyloxy)-silane

d-3-Methyl-pentyl-butyrat

(S)-3-methoxy-1-pentyl propionate

3-methylvaleric acid

Refernces

• 1、 Ghosh, Ivy,Banerjee, Sridhar,Paul, Satadal,Corona, Teresa,Paine, Tapan Kanti. "Highly Selective and Catalytic Oxygenations of C?H and C=C Bonds by a Mononuclear Nonheme High-Spin Iron(III)-Alkylperoxo Species". . p. 12534 - 12539. Retrieved 2019/08/07.
• 2、 Daw, Graham,Regan, Andrew C.,Watt, C. Ian F.,Wood, Evan. "Steric effects and mechanism in the formation of hemi-acetals from aliphatic aldehydes". . p. 1048 - 1057. Retrieved 2014/01/06.