2-Nonanol, 2-methyl-

Base Information

• Chemical Name: 2-Nonanol, 2-methyl-
• CAS No.: 10297-57-1
• Molecular Formula: C10H22O
• Molecular Weight: 158.284
• Hs Code.: 2905199090
• European Community (EC) Number: 233-671-5
• NSC Number: 89740
• DSSTox Substance ID: DTXSID10145592
• Nikkaji Number: J42.484F
• Mol file: 10297-57-1.mol

Synonyms:2-Methyl-2-nonanol;2-NONANOL, 2-METHYL-;2-Methylnonan-2-ol;10297-57-1;EINECS 233-671-5;NSC 89740;BRN 1698164;4-01-00-01825 (Beilstein Handbook Reference);NSC89740;1,1-Dimethyl-1-octanol;SCHEMBL22501;DTXSID10145592;MFCD00021850;NSC-89740;AKOS006230078;LS-96899;FT-0601928

Chemical Property of 2-Nonanol, 2-methyl-

Chemical Property:

• Vapor Pressure: 0.0764mmHg at 25°C
• Melting Point: -1.53°C (estimate)
• Refractive Index: 1.434
• Boiling Point: 201.3 °C at 760 mmHg
• PKA: 15.40±0.29(Predicted)
• Flash Point: 81.1 °C
• PSA: 20.23000
• Density: 0.828 g/cm³
• LogP: 3.11780
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 6
• Exact Mass: 158.167065321
• Heavy Atom Count: 11
• Complexity: 86.9

Purity/Quality:

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

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCC(C)(C)O

Technology Process of 2-Nonanol, 2-methyl-

There total 12 articles about 2-Nonanol, 2-methyl- 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: 48.0%

1-Bromoheptane (629-04-9) + acetone (67-64-1) → 2-methylnonan-2-ol (10297-57-1)

Guidance literature:

1-Bromoheptane; With magnesium; In tetrahydrofuran; Inert atmosphere; Schlenk technique;

acetone; In tetrahydrofuran; at 0 ℃; Inert atmosphere; Schlenk technique;

With hydrogenchloride; water; In tetrahydrofuran; at 0 ℃; Inert atmosphere; Schlenk technique;

DOI:10.1002/chem.201402857

Reference yield: 11.0%

C10H21Br (119819-98-6) → 2-methylnonan-2-ol (10297-57-1)

Guidance literature:

With oxygen; triethylamine; sodium iodide; In acetonitrile; at 32 ℃; for 24h; Schlenk technique; UV-irradiation;

DOI:10.1021/acs.orglett.9b03317

Reference yield: 10.0%

methyl octanate (111-11-5) + methyl iodide (74-88-4) → 2-methylnonan-2-ol (10297-57-1)

Guidance literature:

With samarium diiodide; In tetrahydrofuran; Ambient temperature;

DOI:10.1021/ja00528a029

upstream raw materials:

2-Nonanone

methylmagnesium bromide

n-heptylmagnesium bromide

acetone

Downstream raw materials:

4-Nitro-perbenzoesaeure-<1.1-dimethyl-octylester>

2-methyl-2-(3,5-dimethoxyphenyl)nonane

2,2-dimethylnonanoic acid

2-methyl-2-nonene

Refernces

• 1、 Cai, Yue-Ming,Xu, Yu-Ting,Zhang, Xin,Gao, Wen-Xia,Huang, Xiao-Bo,Zhou, Yun-Bing,Liu, Miao-Chang,Wu, Hua-Yue. "Photoinduced Hydroxylation of Organic Halides under Mild Conditions". supporting information. p. 8479 - 8484. Retrieved 2019/10/16.
• 2、 Hurkes, Natascha,Ehmann, Heike M. A.,List, Martina,Spirk, Stefan,Bussiek, Malte,Belaj, Ferdinand,Pietschnig, Rudolf. "Silanol-based surfactants: Synthetic access and properties of an innovative class of environmentally benign detergents". . p. 9330 - 9335. Retrieved 2014/08/05.