Monopentyl sulfate

Base Information

• Chemical Name: Monopentyl sulfate
• CAS No.: 110-92-9
• Molecular Formula: C5H12 O4 S
• Molecular Weight: 168.214
• Hs Code.: 2905199090
• UNII: T5D5NH8DMR
• DSSTox Substance ID: DTXSID70149091
• Nikkaji Number: J140.457A
• Wikidata: Q83014768
• ChEMBL ID: CHEMBL2111075
• Mol file: 110-92-9.mol

Synonyms:Monopentyl sulfate;pentyl hydrogen sulfate;110-92-9;Pentyl sulfate;Sulfuric acid, monopentyl ester;T5D5NH8DMR;pentylsulfate;Amylschwefelsaure;Amylosulfuric Acid;UNII-T5D5NH8DMR;SCHEMBL126129;C5H12O4S;CHEMBL2111075;DTXSID70149091

Chemical Property of Monopentyl sulfate

Chemical Property:

• PSA: 74.81000
• LogP: 1.73420
• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 168.04563003
• Heavy Atom Count: 10
• Complexity: 155

Purity/Quality:

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCOS(=O)(=O)O

Technology Process of Monopentyl sulfate

There total 4 articles about Monopentyl sulfate 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:

pentan-1-ol (71-41-0) → sulfuric acid monopentyl ester (110-92-9)

Guidance literature:

With propylene glycol; human adrenal hydroxysteroid sulfotransferase (EC 2.8.2.2); PAPS; for 0.166667h; Kinetics; K_m;

DOI:10.1016/0039-128X(83)90023-5

Reference yield:

n-pentyl formate (638-49-3) → sulfuric acid monopentyl ester (110-92-9)

Guidance literature:

With tetrachloromethane; chlorosulfonic acid;

Reference yield:

2,2-dimethyl-propanol-1 (75-84-3) + sulfuric acid (7664-93-9) + water (7732-18-5) → sulfuric acid monopentyl ester (110-92-9)

Guidance literature:

at 25 ℃; Rate constant;

DOI:10.1021/ja01165a005

upstream raw materials:

n-pentyl formate

pentan-1-ol

2,2-dimethyl-propanol-1

sulfuric acid

Downstream raw materials:

pentan-1-ol

Refernces

• 1、 Savelyanov,Yakushin. "SULFATION OF ALCOHOLS OF DIFFERENT STRUCTURES WITH CONCENTRATED SULFURIC ACID.". . p. 1527 - 1531. Retrieved 2007/10/02.