2,6,8-Trimethyl-4-nonanol

Base Information

• Chemical Name: 2,6,8-Trimethyl-4-nonanol
• CAS No.: 123-17-1
• Deprecated CAS: 19870-37-2
• Molecular Formula: C12H26 O
• Molecular Weight: 186.338
• Hs Code.: 2905199090
• European Community (EC) Number: 204-606-8
• NSC Number: 60574
• UNII: MN9674YUG7
• DSSTox Substance ID: DTXSID8029159
• Nikkaji Number: J34.591A
• Wikidata: Q27284121
• ChEMBL ID: CHEMBL3182329
• Mol file: 123-17-1.mol

Synonyms:2,6,8-Trimethyl-4-nonanol;123-17-1;2,6,8-Trimethylnonan-4-ol;4-NONANOL, 2,6,8-TRIMETHYL-;4-Hydroxy-2,6,8-trimethylnonane;2,6,8-Trimethylnonanol-4;2,4,8-Trimethyl-6-nonanol;EINECS 204-606-8;NSC 60574;BRN 1840251;UNII-MN9674YUG7;MN9674YUG7;DTXSID8029159;NSC-60574;EC 204-606-8;DTXCID209159;CAS-123-17-1;NSC60574;starbld0019188;2,8-Trimethylnonanol-4;2,6,8-Trimethyl-4-nonanol, erythro + threo;2,8-Trimethyl-4-nonanol;2,8-Trimethyl-6-nonanol;4-Nonanol,6,8-trimethyl-;SCHEMBL232113;4-Nonanol,2,6,8-trimethyl-;CHEMBL3182329;Tox21_202434;Tox21_303455;MFCD00026491;AKOS006229608;NCGC00249225-01;NCGC00257452-01;NCGC00259983-01;AS-75647;LS-96902;NONAN-4-OL, 2,6,8-TRIMETHYL-;CS-0329231;T2279;D92592;WLN: 1Y1 & 1YQ1Y1 & 1Y1 & 1;W-108989;2,6,8-Trimethyl-4-nonanol, erythro + threo, 90+%;Q27284121

Chemical Property of 2,6,8-Trimethyl-4-nonanol

Chemical Property:

• Vapor Pressure: 0.0158mmHg at 25°C
• Melting Point: -59.9°C
• Refractive Index: 1.4350
• Boiling Point: 226.8°Cat760mmHg
• PKA: 15.21±0.20(Predicted)
• Flash Point: 94.3°C
• PSA: 20.23000
• Density: 0.825g/cm³
• LogP: 3.46570
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 6
• Exact Mass: 186.198365449
• Heavy Atom Count: 13
• Complexity: 118

Purity/Quality:

99.9% ^*data from raw suppliers

2,6,8-Trimethyl-4-nonanol (threo- and erythro- mixture) ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CC(C)CC(CC(C)C)O
• Uses: Solvent, dispersant, intermediate, lubricatingoil dewaxing.

Technology Process of 2,6,8-Trimethyl-4-nonanol

There total 6 articles about 2,6,8-Trimethyl-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:

4-methyl-2-pentanone (108-10-1) → Methyl isobutyl carbinol (108-11-2,72847-31-5) + 2,6,8-trimethylnonan-4-one (123-18-2) + 2,6,8-trimethyl-4-nonanol (123-17-1)

Guidance literature:

With hydrogen; at 249.84 ℃; under 4500.45 Torr; Reagent/catalyst; Catalytic behavior;

DOI:10.1002/cssc.201601563

Reference yield:

2,4-dimethylpentanoic acid (5868-33-7) → 2,6,8-trimethyl-4-nonanol (123-17-1)

Guidance literature:

Multi-step reaction with 2 steps

1: (i) LiAlH₄, (ii) PBr₃

2: (i) Mg, (ii) /BRN= 773692/

DOI:10.1021/ja01092a057

Reference yield:

1-Bromo-2,4-dimethylpentane (6570-91-8) + isovaleraldehyde (590-86-3) → 2,6,8-trimethyl-4-nonanol (123-17-1)

Guidance literature:

Multistep reaction; (i) Mg, (ii) /BRN= 773692/;

DOI:10.1021/ja01092a057

upstream raw materials:

Isobutyl bromide

3,5-dimethyl-hexanal

1-Bromo-2,4-dimethylpentane

isovaleraldehyde

Downstream raw materials:

2,6,8-trimethylnonan-4-one

1-methyl-4-phenyl-hexahydro-azepine-4-carbonitrile

Refernces

• 1、 Sheng, Xueru,Li, Ning,Li, Guangyi,Wang, Wentao,Wang, Aiqin,Cong, Yu,Wang, Xiaodong,Zhang, Tao. "Direct Synthesis of Renewable Dodecanol and Dodecane with Methyl Isobutyl Ketone over Dual-Bed Catalyst Systems". . p. 825 - 829. Retrieved 2017/03/17.