1-Pentanol

Base Information

• Chemical Name: 1-Pentanol
• CAS No.: 71-41-0
• Molecular Formula: C5H12O
• Molecular Weight: 88.1497
• Hs Code.: 2905199090
• European Community (EC) Number: 200-752-1,250-378-8
• ICSC Number: 0535
• NSC Number: 5707
• UN Number: 1105
• UNII: M9L931X26Y
• DSSTox Substance ID: DTXSID6021741
• Nikkaji Number: J1.423K
• Wikipedia: 1-Pentanol
• Wikidata: Q151733
• Metabolomics Workbench ID: 3202
• ChEMBL ID: CHEMBL14568
• Mol file: 71-41-0.mol

Synonyms:1-pentanol;n-pentanol;n-pentanol, 1-(13)C-labeled cpd;n-pentanol, aluminum salt;n-pentanol, barium salt;n-pentanol, calcium salt;n-pentanol, magnesium salt;n-pentanol, potassium salt;n-pentanol, sodium salt;n-pentanol, titanium (4+) salt

Chemical Property of 1-Pentanol

Chemical Property:

• Appearance/Colour: Colorless liquid.
• Melting Point: -78 °C(lit.)
• Refractive Index: n20/D 1.409(lit.)
• Boiling Point: 138.5 °C at 760 mmHg
• Flash Point: 48.9 °C
• PSA: 20.23000
• Density: 0.811 g/cm³
• LogP: 1.16890
• Water Solubility.: 22 g/L (22℃)
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 88.088815002
• Heavy Atom Count: 6
• Complexity: 19.9
• Transport DOT Label: Flammable Liquid

Purity/Quality:

95%, 99% ^*data from raw suppliers

Safty Information:

• Pictogram(s): Xn, F, Xi
• Hazard Codes: Xn:Harmful
• Statements: R10:; R20:; R37:; R66:
• Safety Statements: S46:

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Solvents -> Alcohols (
• Canonical SMILES: CCCCCO
• Inhalation Risk: A harmful contamination of the air can be reached rather quickly on evaporation of this substance at 20 °C.
• Effects of Short Term Exposure: The substance is irritating to the eyes, skin and respiratory tract. If swallowed the substance may cause vomiting and could result in aspiration pneumonitis. The substance may cause effects on the central nervous system. Exposure at high levels could cause lowering of consciousness.
• Effects of Long Term Exposure: Repeated or prolonged contact with skin may cause dermatitis.

Technology Process of 1-Pentanol

There total 396 articles about 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: 83.0%

1-methoxy-4-((pentyloxy)methyl)benzene (207795-39-9) → pentan-1-ol (71-41-0) + 4-methoxybenzoic acid (100-09-4)

Guidance literature:

With bis(acetylacetonate)oxovanadium; methyl 3,5-bis((1H-1,2,4-triazol-1-yl)methyl)benzoate; oxygen; sodium acetate; at 120 ℃; for 48h;

DOI:10.1002/adsc.201600593

Reference yield: 76.0%

4-benzyloxycarbonylaminobutyric acid pentyl ester (1245613-15-3) → pentan-1-ol (71-41-0) + 4-(benzyloxycarbonylamino)butyric acid (5105-78-2)

Guidance literature:

With methanol; Bacillus subtilis esterase; In hexane; at 37 ℃; for 0.5h; pH=7.4; Reagent/catalyst; Time; Kinetics; aq. phosphate buffer; Enzymatic reaction;

DOI:10.1002/adsc.200900325

Reference yield: 28.5%

carbon dioxide (124-38-9,18923-20-1) + carbon monoxide (201230-82-2) → methanol (67-56-1) + propan-1-ol (71-23-8) + propylene glycol (57-55-6,63625-56-9) + 1,4-Pentanediol (626-95-9) + 1 ,5-pentanediol (111-29-5) + Butane-1,4-diol (110-63-4) + diethyl ether (60-29-7,927820-24-4) + methane (34557-54-5,27936-85-2) + ethanol (64-17-5) + (+/-)-2-pentanol (6032-29-7,13403-73-1) + 1.3-butanediol (18826-95-4,107-88-0) + 1,2-pentanediol (5343-92-0) + ethane (74-84-0) + propane (74-98-6) + Dimethyl ether (115-10-6,157621-61-9) + ethyl methyl ether (540-67-0) + 2-methyl-propan-1-ol (78-83-1) + 2-pentanol (584-02-1) + pentan-1-ol (71-41-0) + 1,3-pentanediol (3174-67-2) + acetic acid methyl ester (79-20-9) + isopropyl alcohol (67-63-0,8013-70-5) + iso-butanol (78-92-2,15892-23-6) + tert-butyl alcohol (75-65-0) + butan-1-ol (71-36-3) + 1,2-dihydroxybutane (584-03-2)

Guidance literature:

With hydrogen; Cu/Co/Al; at 260 - 320 ℃; under 45004.5 - 75007.5 Torr; Conversion of starting material;

upstream raw materials:

oxirane

n-propylmagnesium bromide

di-n-propylmagnesium

trimethylene oxide

Downstream raw materials:

2,2'-disulfanediyl-di-benzoic acid dipentyl ester

2-(pentyloxy)ethanol

3-(2-amino-benzylidene)-1,3-dihydro-indol-2-one

pentyl 4-oxopentanoate

Refernces

• 1、 Petrovi?, Goran,?ekovi?, ?ivorad. "Free radical alkylation of the remote nonactivated δ-carbon atom". . p. 627 - 630. Retrieved 1997.
• 2、 Sharifi, Sina,Sharifi, Hannah,Koza, Darrell,Aminkhani, Ali. "Disproportionation of aliphatic and aromatic aldehydes through Cannizzaro, Tishchenko, and Meerwein–Ponndorf–Verley reactions". . p. 803 - 808. Retrieved 2021/07/20.
• 3、 An, Hualiang,Wang, Yanji,Zhao, Lili,Zhao, Xinqiang. "Effect of second metal component on the reduction property and catalytic performance of NiO-MOx/Nb2O5-TiO2 for direct synthesis of 2-propylheptanol from n-valeraldehyde". . . Retrieved 2020/11/02.