tert-Amyl alcohol

Base Information

• Chemical Name: tert-Amyl alcohol
• CAS No.: 75-85-4
• Molecular Formula: C5H12O
• Molecular Weight: 88.1497
• Hs Code.: 2905199090
• European Community (EC) Number: 200-908-9
• NSC Number: 760354,25498
• UN Number: 1105
• UNII: 69C393R11Z
• DSSTox Substance ID: DTXSID0041436
• Nikkaji Number: J4.164E
• Wikipedia: Tert-Amyl_alcohol
• Wikidata: Q209428
• Metabolomics Workbench ID: 46201
• ChEMBL ID: CHEMBL44658
• Mol file: 75-85-4.mol

Synonyms:tert-Pentylalcohol (8CI);1,1-Dimethyl-1-propanol;2-Ethyl-2-propanol;2-Hydroxy-2-methylbutane;2-Methyl-2-hydroxybutane;Amylenehydrate;Dimethylethylcarbinol;Ethyldimethylcarbinol;NSC 25498;tert-Amylalcohol;tert-Pentanol;

Chemical Property of tert-Amyl alcohol

Chemical Property:

• Appearance/Colour: colourless liquid with a camphor-like odour
• Vapor Pressure: 19.2mmHg at 25°C
• Melting Point: -12 °C
• Refractive Index: n20/D 1.405(lit.)
• Boiling Point: 102 °C at 760 mmHg
• PKA: 15.38±0.29(Predicted)
• Flash Point: 21.1 °C
• PSA: 20.23000
• Density: 0.811 g/cm³
• LogP: 1.16730
• Water Solubility.: 120 g/L (20℃)
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 88.088815002
• Heavy Atom Count: 6
• Complexity: 39.2
• Transport DOT Label: Flammable Liquid

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s): F,Xn
• Hazard Codes: F:Flammable;;
• Statements: R11:; R20:; R37/38:
• Safety Statements: S46:

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Solvents -> Alcohols (
• Canonical SMILES: CCC(C)(C)O

Technology Process of tert-Amyl alcohol

There total 137 articles about tert-Amyl alcohol 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: 70.0%

methylbutane (78-78-4) → 3-methyl-butan-2-one (563-80-4) + tert-Amyl alcohol (75-85-4) + 2-Methylbutyraldehyde (96-17-3,57456-98-1) + 3-methyl-2-butanol (598-75-4)

Guidance literature:

With [2,2]bipyridinyl; Ba; trifluoroacetic acid; In dichloromethane; at 20 ℃; for 0.0333333h;

DOI:10.1039/c39950000943

Reference yield:

2-iodo-2-methylbutane (594-38-7) + water (7732-18-5) → tert-Amyl alcohol (75-85-4) + hydrogen iodide (10034-85-2)

Guidance literature:

Reference yield:

benzaldehyde di-t-pentyl acetal → tert-Amyl alcohol (75-85-4) + benzaldehyde (100-52-7)

Guidance literature:

With acetate buffer; potassium chloride; In acetonitrile; at 25 ℃; pH=4.60 - 5.00; Further Variations:; Reagents; pH-values; Kinetics;

DOI:10.1021/jo0202987

upstream raw materials:

2-methyl-1,2-epoxypropane

dimethylmagnesium

2,3-epoxybutane

methylmagnesium bromide

Downstream raw materials:

2-tert-pentyloxy-ethanol

2-methyl-2-butyl benzoate

iso-butanol

tert-butyl tert-amyl peroxide

Refernces

• 1、 Lucas,Liu. "". . p. 2138. Retrieved 1934.
• 2、 Crespo-Quesada, Micaela,Yarulin, Artur,Jin, Mingshang,Xia, Younan,Kiwi-Minsker, Lioubov. "Structure sensitivity of alkynol hydrogenation on shape- and size-controlled palladium nanocrystals: Which sites are most active and selective?". . p. 12787 - 12794. Retrieved 2011.
• 3、 Skripov,Belykh,Sterenchuk,Levchenko,Schmidt. "Reasons for the Inverse Dependence of the Turnover Frequency of Hydrogenation of Unsaturated Compounds on Palladium Catalyst Concentration". . p. 299 - 306. Retrieved 2021/04/26.
• 4、 Belykh, L. B.,Dashabylova, T. M.,Gvozdovskaya, K. L.,Schmidt, F. K.,Skripov, N. I.,Sterenchuk, T. P.,Zherdev, V. V.. "Palladium-Phosphorus Nanoparticles as Effective Catalysts of the Chemoselective Hydrogenation of Alkynols". . p. 575 - 588. Retrieved 2020/08/05.