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2-Butyl-1-n-octanol

Catalog Number
ACM3913028-1
CAS Number
3913-02-8
Product Name
2-Butyl-1-n-octanol
Structure
Category
Solubility Enhancing Reagents; Solubilizer
Description
Liquid
IUPAC Name
2-butyloctan-1-ol
Molecular Weight
186.33g/mol
Molecular Formula
C12H26O
Canonical SMILES
CCCCCCC(CCCC)CO
InChI
InChI=1S/C12H26O/c1-3-5-7-8-10-12(11-13)9-6-4-2/h12-13H,3-11H2,1-2H3
InChI Key
XMVBHZBLHNOQON-UHFFFAOYSA-N
Application
2-Butyl-1-n-octanol serves multiple purposes, notably in the synthesis of compounds such as 2-butyl-1-octyl-methacrylate and 3,5,5-trimethyl-1-hexyl methacrylate. Additionally, it plays a role in the creation of hydrophobic polyesters through miniemulsion techniques, even in scenarios involving large volumes of water. Beyond its synthetic applications, 2-Butyl-1-n-octanol is utilized as an extraction solvent in fed-batch experiments, demonstrating its versatility. As a primary alcohol, characterized by a butyl group at the second position of 1-octanol, it is also identified as a metabolite observed in cancer metabolism.
Complexity
91.1
Covalently-Bonded Unit Count
1
EC Number
223-470-0
Exact Mass
186.198365g/mol
Formal Charge
0
Heavy Atom Count
13
Monoisotopic Mass
186.198365g/mol
NSC Number
2414
Rotatable Bond Count
9
XLogP3
4.8
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