CAS 3913-02-8 2-Butyl-1-n-octanol - Materials / Alfa Chemistry

NAVIGATION

2-Butyl-1-n-octanol

PRICE INQUIRY

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

EC Number

223-470-0

Exact Mass

186.198365g/mol

Formal Charge

Heavy Atom Count

Monoisotopic Mass

186.198365g/mol

NSC Number