4-Methylnonane

Base Information

• Chemical Name: 4-Methylnonane
• CAS No.: 17301-94-9
• Deprecated CAS: 132958-74-8
• Molecular Formula: C₁₀H₂₂
• Molecular Weight: 142.285
• European Community (EC) Number: 241-329-1
• DSSTox Substance ID: DTXSID60864766
• Nikkaji Number: J130.651K
• Wikidata: Q2816676
• Metabolomics Workbench ID: 5313
• Mol file: 17301-94-9.mol

Synonyms:4-METHYLNONANE;17301-94-9;Nonane, 4-methyl-;4-n-Methylnonane;EINECS 241-329-1;Methylnonane, 4-;4-Methylnonane,99%;4-Methylnonane, (DL)-;Fmoc-2-Aminoisobutyricacid;4-Methylnonane, >=98.0%;DTXSID60864766;LMFA11000618;MFCD00027289;n-C3H7CH(CH3)(CH2)4CH3;AKOS024319141;CS-0196860;FT-0637525;M0283;T71919;J-010868;Q2816676

Chemical Property of 4-Methylnonane

Chemical Property:

• Vapor Pressure: 2.78E-07mmHg at 25°C
• Melting Point: -98.7°C
• Refractive Index: n20/D 1.413
• Boiling Point: 166.1°Cat760mmHg
• Flash Point: 37.9°C
• PSA: 0.00000
• Density: 0.733g/cm³
• LogP: 4.00290
• Solubility.: soluble in Ether,Benzene,Chloroform
• Water Solubility.: 67.79ug/L(temperature not stated)
• XLogP3: 5.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 6
• Exact Mass: 142.172150702
• Heavy Atom Count: 10
• Complexity: 57.1

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-Methylnonane ^*data from reagent suppliers

Safty Information:

• Statements: 10
• Safety Statements: 16

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Solvents -> Aliphatics, Saturated (
• Canonical SMILES: CCCCCC(C)CCC
• Uses: 4-Methylnonane is a useful synthetic compound.

Technology Process of 4-Methylnonane

There total 30 articles about 4-Methylnonane 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: 91.0%

rac-2-methylpentyl trifluoromethanesulfonate (1126420-86-7) + butyl magnesium bromide (693-04-9) → 4-methylnonane (17301-94-9,108266-42-8)

Guidance literature:

With dilithium tetrachlorocuprate; In tetrahydrofuran; diethyl ether; at -65 ℃; for 1h;

DOI:10.1080/00304940809458090

Reference yield: 60.0%

valeric acid (109-52-4) → nonane (111-84-2) + 4-methylnonane (17301-94-9,108266-42-8)

Guidance literature:

With Pt/Al₂O₃; hydrogen; zirconium(IV) oxide; at 400 ℃; under 30003 Torr; Flow reactor;

DOI:10.1016/j.molcata.2013.11.015

Reference yield:

butylcyclohexane (1678-93-9) → octane, 4-ethyl- (15869-86-0) + 3-ethyloctane (5881-17-4) + 4-methylnonane (17301-94-9,108266-42-8) + 3-methyl-nonane (5911-04-6)

Guidance literature:

With aluminum oxide; hydrogen; iridium; USY⁽³⁷⁾; platinum; In n-heptane; at 274.85 ℃; under 26552.1 Torr; Further Variations:; Catalysts; Temperatures; Product distribution;

DOI:10.1006/jcat.2002.3685

upstream raw materials:

4-methyl-4-nonanol

6-methyl-non-3-ene-1,8-diyne

5-decyl bromide

pentanal

Downstream raw materials:

isodecane

3-methyl-nonane

propane

Isobutane

Refernces

• 1、 Chen, Fang,Li, Ning,Li, Shanshan,Yang, Jinfan,Liu, Fei,Wang, Wentao,Wang, Aiqin,Cong, Yu,Wang, Xiaodong,Zhang, Tao. "Solvent-free synthesis of C9 and C10 branched alkanes with furfural and 3-pentanone from lignocellulose". . p. 229 - 232. Retrieved 2015/01/09.
• 2、 Santi, Dominic,Holl, Tobias,Calemma, Vincenzo,Weitkamp, Jens. "High-performance ring-opening catalysts based on iridium-containing zeolite Beta in the hydroconversion of decalin". . p. 46 - 57. Retrieved 2013/06/04.