4-Methyl-4-nonanol

Base Information

• Chemical Name: 4-Methyl-4-nonanol
• CAS No.: 23418-38-4
• Molecular Formula: C10H22 O
• Molecular Weight: 158.284
• Hs Code.: 2905199090
• European Community (EC) Number: 245-648-7
• NSC Number: 103159
• DSSTox Substance ID: DTXSID101017019
• Nikkaji Number: J110.668F
• Mol file: 23418-38-4.mol

Synonyms:4-Methyl-4-nonanol;4-Methylnonan-4-ol;23418-38-4;4-Nonanol, 4-methyl-;EINECS 245-648-7;NSC103159;4-methyl-nonan-4-ol;SCHEMBL309728;n-Pentyl methyl n-propyl carbinol;DTXSID101017019;MFCD00021848;AKOS028108534;NSC 103159;NSC-103159;SB84198;AS-57404;CS-0128343;FT-0619044;E81479;A816707

Chemical Property of 4-Methyl-4-nonanol

Chemical Property:

• Vapor Pressure: 0.0764mmHg at 25°C
• Melting Point: -1.53°C (estimate)
• Refractive Index: 1.4330
• Boiling Point: 201.3°Cat760mmHg
• PKA: 15.51±0.29(Predicted)
• Flash Point: 81.1°C
• PSA: 20.23000
• Density: 0.828g/cm³
• LogP: 3.11780
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 6
• Exact Mass: 158.167065321
• Heavy Atom Count: 11
• Complexity: 90.9

Purity/Quality:

99% ^*data from raw suppliers

4-Methylnonan-4-ol ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC(C)(CCC)O

Technology Process of 4-Methyl-4-nonanol

There total 2 articles about 4-Methyl-4-nonanol 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:

n-pentyl methyl ketone (110-43-0) + n-hexan-2-one (591-78-6) + n-pentylmagnesium bromide (693-25-4) + 2-Pentanone (107-87-9) + hexyl-methyl-ketone (111-13-7) → 4-methyl-4-nonanol (23418-38-4) + 5-Methyldecan-5-ol (87258-26-2) + 6-methylundecan-6-ol (5340-31-8) + 6-methyl-dodecan-6-ol (62958-40-1)

Guidance literature:

In diethyl ether; at 20 ℃; for 4.75h;

Reference yield:

2-methylhexanal (925-54-2) + n-propylmagnesium bromide (927-77-5) → 4-methyl-4-nonanol (23418-38-4)

Guidance literature:

Reference yield:

4-methyl-4-nonanol (23418-38-4) → 4-methylnonane (17301-94-9,108266-42-8)

Guidance literature:

With phthalic anhydride; toluene-4-sulfonic acid; Beim Hydrieren des Reaktionsprodukts an Platin in Essigsaeure;

upstream raw materials:

2-methylhexanal

n-propylmagnesium bromide

n-pentyl methyl ketone

n-hexan-2-one

Downstream raw materials:

4-methylnonane

4-methyl-4-nonyl p-fluorobenzoate

Refernces