CAS 110453-78-6 1-Octanol, 6-methyl-,(6S)- - Materials / Alfa Chemistry

NAVIGATION

1-Octanol, 6-methyl-,(6S)-

PRICE INQUIRY

Catalog Number

ACM110453786-2

CAS Number

110453-78-6

Product Name

1-Octanol, 6-methyl-,(6S)-

Structure

Category

Liquid Crystal (LC) Building Blocks

IUPAC Name

(6S)-6-methyloctan-1-ol

Molecular Weight

144.25g/mol

Molecular Formula

C9H20O

Canonical SMILES

CCC(C)CCCCCO

InChI

InChI=1S/C9H20O/c1-3-9(2)7-5-4-6-8-10/h9-10H,3-8H2,1-2H3/t9-/m0/s1

InChI Key

WWRGKAMABZHMCN-VIFPVBQESA-N

Purity

>98.0%(GC)

Application

1-Octanol, 6-methyl-,(6S)- serves several critical functions in research and practical applications. Primarily, it is instrumental in the detection of alcoholic compounds in orange juice, utilizing online-SPME with 2D GC/QMS to achieve accurate results. Additionally, it is valuable as a peptide antibiotic. As an alkyl alcohol, specifically the S-stereoisomer of 6-methyloctane with a hydroxy group at position 1, it plays a significant role as a metabolite in Daphnia pulex. This compound is categorized as both an alkyl and a primary alcohol, underscoring its versatility and importance in various scientific investigations.

Complexity

61.7

Covalently-Bonded Unit Count

Exact Mass

144.151415g/mol

Formal Charge

Heavy Atom Count

Monoisotopic Mass

144.151415g/mol

Rotatable Bond Count

XLogP3

3.2