3-Ethyl-3-pentanol

Base Information

• Chemical Name: 3-Ethyl-3-pentanol
• CAS No.: 597-49-9
• Molecular Formula: C7H16 O
• Molecular Weight: 116.203
• European Community (EC) Number: 209-902-0
• NSC Number: 25500
• UNII: 8P2O4Y3RTC
• DSSTox Substance ID: DTXSID9060497
• Nikkaji Number: J69.489D
• Wikipedia: 3-Ethyl-3-pentanol
• Wikidata: Q4634141
• Mol file: 597-49-9.mol

Synonyms:3-ETHYL-3-PENTANOL;597-49-9;3-Ethylpentan-3-ol;Triethylcarbinol;3-Pentanol, 3-ethyl-;Triethylmethanol;3-Aethyl-pentanol-(3);3-Ethyl-3-hydroxypentane;Triethylmethyl Alcohol;3-ethyl-pentan-3-ol;3-Aethyl-pentanol-(3) [German];EINECS 209-902-0;NSC 25500;BRN 1731643;8P2O4Y3RTC;AI3-30048;NSC-25500;4-01-00-01750 (Beilstein Handbook Reference);1,1-Diethyl-1-propanol;NSC25500;MFCD00004484;Ethyl-3 pentanol-3;starbld0000278;UNII-8P2O4Y3RTC;SCHEMBL22032;3-Ethyl-3-pentanol, 98%;DTXSID9060497;AKOS009156639;SB85064;AS-77603;LS-101891;CS-0204667;E0157;FT-0615654;EN300-85565;D90446;A832456;Q4634141;Z449374516

Chemical Property of 3-Ethyl-3-pentanol

Chemical Property:

• Appearance/Colour: clear colorless to slightly yellow liquid
• Vapor Pressure: 1.81mmHg at 25°C
• Melting Point: -12.5 °C
• Refractive Index: n20/D 1.430(lit.)
• Boiling Point: 146.6 °C at 760 mmHg
• PKA: 15.38±0.29(Predicted)
• Flash Point: 40 °C
• PSA: 20.23000
• Density: 0.824 g/mL at 25 °C(lit.)
• LogP: 1.94750
• Storage Temp.: Flammables area
• Water Solubility.: Slightly soluble in water. Soluble in alcohol.
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 116.120115130
• Heavy Atom Count: 8
• Complexity: 47.1

Purity/Quality:

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

3-Ethyl-3-pentanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 10-41-37/38-22
• Safety Statements: 16-39-26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Solvents -> Alcohols (
• Canonical SMILES: CCC(CC)(CC)O
• Uses: 3-Ethyl-3-pentanol was used to study the effect of alkanols on the micropolarity and microviscosity of the head group region, in the reverse micelles of AOT-heptane-water by fluorescence probing.

Technology Process of 3-Ethyl-3-pentanol

There total 73 articles about 3-Ethyl-3-pentanol 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: 94.0%

2,2-diethyloxirane (1192-17-2) → 3-ethylpentan-3-ol (597-49-9) + 3-ethyl-5-hexen-3-ol (1907-46-6)

Guidance literature:

With CH₂=CH(Me)Cu(CN)Li₂; In tetrahydrofuran; at 0 ℃; for 2h; Yields of byproduct given;

DOI:10.1021/jo00195a009

Reference yield: 56.0%

ethylmagnesium bromide (925-90-6) + pentan-3-one (96-22-0) → 3-ethylpentan-3-ol (597-49-9)

Guidance literature:

In tetrahydrofuran; at 0 - 20 ℃; Schlenk technique; Inert atmosphere;

DOI:10.1021/acs.orglett.8b03299

Reference yield: 42.0%

2,2-diethyloxirane (1192-17-2) + methyllithium (917-54-4) → 3-ethylpentan-3-ol (597-49-9)

Guidance literature:

With copper(I) thiocyanate; In tetrahydrofuran; at -40 ℃; for 2h; Mechanism; Product distribution; other reagents: CuI;

DOI:10.1021/jo00152a026

upstream raw materials:

phosgene

diethyl ether

methyl 1,1,1-trichloromethyl carbonate

ethylmagnesium bromide

Downstream raw materials:

3-ethyl-3-chloro-pentane

triethylcarbinyl bromide

3-ethyl-2-pentene

3,4,6-tri-O-benzoyl-α-D-glucopyranose 1,2-(1,1-diethylpropyl orthobenzoate)

Refernces

• 1、 Elorriaga, David,de la Cruz-Martínez, Felipe,Rodríguez-álvarez, María Jesús,Lara-Sánchez, Agustín,Castro-Osma, José Antonio,García-álvarez, Joaquín. "Fast Addition of s-Block Organometallic Reagents to CO2-Derived Cyclic Carbonates at Room Temperature, Under Air, and in 2-Methyltetrahydrofuran". . p. 2084 - 2092. Retrieved 2021/04/02.
• 2、 Guo, Qihang,Ren, Xiang,Lu, Zhan. "Controllable Intramolecular Unactivated C(sp3)-H Amination and Oxygenation of Carbamates". supporting information. p. 880 - 884. Retrieved 2019/05/16.