2-Methyl-1-pentanol

Base Information

• Chemical Name: 2-Methyl-1-pentanol
• CAS No.: 105-30-6
• Deprecated CAS: 17092-54-5
• Molecular Formula: C6H14O
• Molecular Weight: 102.177
• Hs Code.: 2905199090
• European Community (EC) Number: 203-285-1
• NSC Number: 6250
• UNII: U8933MB30H
• DSSTox Substance ID: DTXSID9026714
• Nikkaji Number: J49.947A
• Wikipedia: 2-Methyl-1-pentanol
• Wikidata: Q3278308
• Metabolomics Workbench ID: 123653
• ChEMBL ID: CHEMBL1569610
• Mol file: 105-30-6.mol

Synonyms:2-METHYL-1-PENTANOL;2-Methylpentan-1-ol;105-30-6;1-Pentanol, 2-methyl-;2-Methylpentanol;2-Methylpentanol-1;sec-Amyl carbinol;(+-)-2-Methylpentanol;2-MPOH;(+-)-2-Methyl-1-pentanol;HSDB 2890;NSC 6250;EINECS 203-285-1;2-Methyl-2-propylethanol;BRN 1718974;UNII-U8933MB30H;AI3-21997;DTXSID9026714;U8933MB30H;NSC-6250;17092-54-5;3-01-00-01665 (Beilstein Handbook Reference);2-Methylamyl Alcohol;Amyl methyl alcohol;2-Propylpropanol;2-Mthyl-1-pentanol;Methyl-2 pentanol-1;2-methylpentyl alcohol;1,3-Dimethyl butanol;2-methyl-1 -pentanol;2-methyl-pentan-1-ol;MIC (CHRIS Code);Isopropyl dimethyl carbinol;SCHEMBL22659;MLS001061197;2-Methyl-1-pentanol, 99%;DTXCID906714;CHEMBL1569610;WLN: Q1Y3&1;NSC6250;HMS3039F16;Tox21_200753;2-METHYL-1-PENTANOL [HSDB];MFCD00004745;2-METHYLPENTANOL, (+/-)-;AKOS009157776;NCGC00090959-01;NCGC00090959-02;NCGC00258307-01;BS-22928;CAS-105-30-6;SMR000677936;2-METHYL-1-PENTANOL, (+/-)-;LS-101899;FT-0612907;M0192;EN300-107778;Methylpentanol-1, 2-;(Amyl methyl alcohol);J-001381;Q3278308

Chemical Property of 2-Methyl-1-pentanol

Chemical Property:

• Appearance/Colour: clear colourless liquid
• Vapor Pressure: 1.5 mm Hg ( 20 °C)
• Melting Point: -48.42°C (estimate)
• Refractive Index: n20/D 1.418(lit.)
• Boiling Point: 151.599 °C at 760 mmHg
• PKA: 15.05±0.10(Predicted)
• Flash Point: 51.667 °C
• PSA: 20.23000
• Density: 0.814 g/cm³
• LogP: 1.41490
• Storage Temp.: 2-8°C
• Water Solubility.: 5.96g/L(25 oC)
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 102.104465066
• Heavy Atom Count: 7
• Complexity: 35.2

Purity/Quality:

98%min ^*data from raw suppliers

2-Methyl-1-pentanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 10-22
• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Solvents -> Alcohols (
• Canonical SMILES: CCCC(C)CO
• Uses: Solvent, intermediate.

Technology Process of 2-Methyl-1-pentanol

There total 184 articles about 2-Methyl-1-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: 69.1%

propionaldehyde (123-38-6) → propan-1-ol (71-23-8) + 2-methylpentan-1-ol (105-30-6) + 2-methyl-2-pentenal (14250-96-5,16958-22-8,623-36-9) + 2-methylvaleraldehyde (123-15-9)

Guidance literature:

With hydrogen; aluminum oxide; nickel; molybdenum; at 180 ℃; under 51714.8 Torr; Further Variations:; Catalysts; Temperatures; Product distribution;

DOI:10.1021/jp046489q

Reference yield:

D-sorbitol (50-70-4) → tetrahydrofuran (109-99-9,24979-97-3,77392-70-2) + TETRAHYDROPYRANE (142-68-7) + 2-methyltetrahydrofuran (96-47-9) + 2,5-dimethyltetrahydrofuran (1003-38-9) + methanol (67-56-1) + propan-1-ol (71-23-8) + 2-Methylcyclopentanone (1120-72-5) + 3-methyl-cyclopentanone (1757-42-2,6195-92-2) + propylene glycol (57-55-6,63625-56-9) + ethanol (64-17-5) + n-hexan-3-ol (623-37-0) + 2-methylpentan-1-ol (105-30-6) + (S)-Ethyl lactate (687-47-8) + pentan-1-ol (71-41-0) + vinyl formate (692-45-5) + n-hexan-2-one (591-78-6) + n-hexan-3-one (589-38-8) + Isopropyl acetate (108-21-4) + 3-Hydroxy-2-pentanone (3142-66-3,113919-08-7) + acetic acid (64-19-7,77671-22-8) + propionaldehyde (123-38-6) + 2-Pentanone (107-87-9) + propionic acid (802294-64-0,79-09-4) + 1-Hydroxy-2-butanone (5077-67-8) + 2,5-hexanedione (110-13-4) + isopropyl alcohol (67-63-0,8013-70-5) + acetone (67-64-1) + glycerol (56-81-5,25618-55-7,64333-26-2,8013-25-0) + pentan-3-one (96-22-0) + isobutyric Acid (79-31-2) + butanone (78-93-3) + iso-butanol (78-92-2,15892-23-6) + hexanoic acid (142-62-1) + Isosorbide (652-67-5) + butyric acid (107-92-6) + 2.3-butanediol (513-85-9) + hexan-1-ol (111-27-3) + valeric acid (109-52-4)

Guidance literature:

platinum on carbon; In water; for 3h; Direct aqueous phase reforming;

Reference yield:

propionic acid anhydride (123-62-6) → 2-methyl-3-pentanol (565-67-3) + 2-methylpentan-1-ol (105-30-6) + 2-pentanol (584-02-1) + pentan-3-one (96-22-0)

Guidance literature:

propionic acid anhydride; at 180 - 200 ℃; for 2h; Inert atmosphere;

With hydrogen; at 211 ℃; under 15514.9 Torr; Inert atmosphere;

upstream raw materials:

propan-1-ol

sodium n-propoxide

magnesium n-propylate

2-Methyl-1-pentene

Downstream raw materials:

phthalic acid mono-(2-methyl-pentyl ester)

trimethyl-(2-methyl-pentyloxy)-silane

adipic acid bis-(2-methyl-pentyl ester)

Si(Oam-2-me)4

Refernces

• 1、 Han, Fangzhi,Liu, Guangju,Zhang, Xuhai,Ding, Yahui,Wang, Liang,Wu, Yijing,Chen, Yue,Zhang, Quan. "Total Synthesis and Structure Revision of Boholamide A". . p. 4976 - 4980. Retrieved 2021.
• 2、 Kim, Bong,Kodomari, Mitsuo,Regen, Steven L.. "Polystyryltri-n-butylphosphine". . p. 3233 - 3235. Retrieved 1984.
• 3、 Bohman, Bj?rn,Tan, Monica M. Y.,Phillips, Ryan D.,Scaffidi, Adrian,Sobolev, Alexandre N.,Moggach, Stephen A.,Flematti, Gavin R.,Peakall, Rod. "A Specific Blend of Drakolide and Hydroxymethylpyrazines: An Unusual Pollinator Sexual Attractant Used by the Endangered Orchid Drakaea micrantha". . p. 1124 - 1128. Retrieved 2020.
• 4、 Brannock,Lappin. "". . p. 6052. Retrieved 1955.
• 5、 Claesson,Olsson. "". . p. 621. Retrieved 1978.
• 6、 Xu, Shiqing,Lee, Ching-Tien,Wang, Guangwei,Negishi, Ei-Ichi. "Widely applicable synthesis of enantiomerically pure tertiary alkyl-containing 1-alkanols by zirconium-catalyzed asymmetric carboalumination of alkenes and palladium- or copper-catalyzed cross-coupling". . p. 1829 - 1835. Retrieved 2013.
• 7、 Wang, Xueqin,Ozkan, Umit S.. "Characterization of active sites over reduced Ni-Mo/Al2O 3 catalysts for hydrogenation of linear aldehydes". . p. 1882 - 1890. Retrieved 2005.
• 8、 Lundeen,A.J.,Oehlschlager,A.C.. "-". . p. 337 - 344. Retrieved 1970.
• 9、 Kasun, Zachary A.,Gao, Xin,Lipinski, Radoslaw M.,Krische, Michael J.. "Direct Generation of Triketide Stereopolyads via Merged Redox-Construction Events: Total Synthesis of (+)-Zincophorin Methyl Ester". . p. 8900 - 8903. Retrieved 2015.
• 10、 Barth,Effenberger. "Lipase-catalyzed resolution of racemic 2-alkyl substituted 1-alkanols". . p. 823 - 833. Retrieved 1993.