2-Propyl-1-heptanol

Base Information

• Chemical Name: 2-Propyl-1-heptanol
• CAS No.: 10042-59-8
• Molecular Formula: C10H22O
• Molecular Weight: 158.284
• European Community (EC) Number: 233-126-1
• UNII: ROZ1V94YZK
• DSSTox Substance ID: DTXSID9029302
• Nikkaji Number: J49.364C
• Wikipedia: 2-Propylheptanol
• Wikidata: Q7250471
• ChEMBL ID: CHEMBL3186950
• Mol file: 10042-59-8.mol

Synonyms:2-Propylheptan-1-ol;2-PROPYL-1-HEPTANOL;10042-59-8;2-Propylheptanol;1-Heptanol, 2-propyl-;2-n-Propyl-1-Heptanol;2-Propylheptyl Alcohol;EINECS 233-126-1;UNII-ROZ1V94YZK;ROZ1V94YZK;BRN 1361442;AI3-25311;DTXSID9029302;EC 233-126-1;4-01-00-01827 (Beilstein Handbook Reference);2-propyl heptanol;2-propyl-heptan-1-ol;2-Propyl-1-heptanol #;SCHEMBL21366;DTXCID309302;CHEMBL3186950;Tox21_300903;MFCD00046768;AKOS000274315;AKOS016037548;HY-W024975;NCGC00248205-01;NCGC00254807-01;AS-40646;LS-74457;CAS-10042-59-8;4-(METHANESULFINYL)PHENYLBORONIC ACID;CS-0061487;FT-0674101;A897448;Q7250471

Chemical Property of 2-Propyl-1-heptanol

Chemical Property:

• Appearance/Colour: Light yellow oil
• Vapor Pressure: 0.0283mmHg at 25°C
• Melting Point: -1.53°C (estimate)
• Refractive Index: 1.434
• Boiling Point: 217.499 °C at 760 mmHg
• PKA: 15.09±0.10(Predicted)
• Flash Point: 87.141 °C
• PSA: 20.23000
• Density: 0.827 g/cm³
• LogP: 2.97530
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
• Water Solubility.: Insoluble in water. Miscible with most common organic solvents.
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 7
• Exact Mass: 158.167065321
• Heavy Atom Count: 11
• Complexity: 71.3

Purity/Quality:

99.9% ^*data from raw suppliers

2-Propyl-1-heptanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC(CCC)CO
• Uses: 2-Propyl-1-heptanol (cas# 10042-59-8) is a compound useful in organic synthesis.

Technology Process of 2-Propyl-1-heptanol

There total 16 articles about 2-Propyl-1-heptanol 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: 71.0%

pentan-1-ol (71-41-0) → 2-propylheptan-1-ol (10042-59-8)

Guidance literature:

With dichloro(pentamethylcyclopentadienyl) iridium; potassium tert-butylate; 1,7-Octadiene; In para-xylene; at 120 ℃; for 4h;

DOI:10.1021/jo061400t

Reference yield:

2-pentyl-pent-4-en-1-ol (346447-01-6) → 2-propylheptan-1-ol (10042-59-8)

Guidance literature:

With ethanol; platinum; dextrorotatory form of 4-oxymethyl-nonane; Hydrogenation;

Reference yield:

pentan-1-ol (71-41-0) + sodium pentanolate (1941-84-0) → 2-propylheptan-1-ol (10042-59-8)

Guidance literature:

With copper;

DOI:10.1021/jo01147a010

upstream raw materials:

2-pentyl-pent-4-en-1-ol

pentan-1-ol

sodium pentanolate

2-propylhept-1-ene

Downstream raw materials:

di(2-propylheptyl) phthalate

di(2-ethylhexyl)terephthalate

Refernces

• 1、 Czech, Zbigniew,Pelech, Robert,Butwin, Agnieszka. "Pyrolysis of poly(2-propylheptyl acrylate)". . p. 763 - 767. Retrieved 2010.
• 2、 Zhao, Lili,An, Hualiang,Zhao, Xinqiang,Wang, Yanji. "Effect of Ni/Co mass ratio and NiO-Co3O4loading on catalytic performance of NiO-Co3O4/Nb2O5-TiO2for direct synthesis of 2-propylheptanol from n -valeraldehyde". . p. 1736 - 1742. Retrieved 2021.
• 3、 An, Hualiang,Miao, Shuang,Wang, Di,Wang, Yanji,Yang, Qiusheng,Zhao, Xinqiang. "Preparation of Ni-IL/SiO2and its catalytic performance for one-pot sequential synthesis of 2-propylheptanol from: n -valeraldehyde". . p. 28100 - 28105. Retrieved 2020.