1-octanol (C8H18O)

1-octanol (C8H18O; CAS 111-87-5) is a practical retrosynthesis target. 1-octanol presents a C8 framework, alcohol functionality. Open AI route search in one click below.

Target: 1-octanol
CAS: 111-87-5
Formula: C8H18O
Approx. MW: 130.23
SMILES: CCCCCCCCO
PubChem CID: 957
Approx. carbons: C8

1-octanol structure

Properties

IUPAC name: octan-1-ol
Common names: 1-octanol; Octan-1-ol; 111-87-5; N-octanol; Octyl alcohol; caprylic alcohol; n-Octyl alcohol; Heptyl carbinol; 1-Hydroxyoctane; Alcohol C-8
Molecular weight: 130.23
Exact mass: 130.14
InChIKey: KBPLFHHGFOOTCA-UHFFFAOYSA-N
Melting point: 5 °F (USCG, 1999)
Boiling point: 383 °F at 760 mmHg (USCG, 1999)
Density: 0.829 at 68 °F (USCG, 1999) - Less dense than water; will float

View on PubChem

1-octanol 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of 1-octanol?

1-octanol has molecular formula C8H18O. Molecular weight about 130.23 g·mol⁻¹.

What is the CAS number of 1-octanol?

The CAS Registry Number for 1-octanol is 111-87-5.

Run AI retrosynthesis for 1-octanol Target catalog AI tools overview

One click loads 1-octanol into ChemicalHelper Reaction for route exploration.

Related targets

Similar compounds

2-Ethylhexan-1-ol 3-Ethyl-2-methyl-3-pentanol 3-Methyl-1-heptanol 5-Methyl-2-Heptanol 5-Methylheptan-3-ol 6-Methyl-2-heptanol

Browse the full target catalog

References & tools

ChemicalHelper Reaction — AI retrosynthesis with optional library evidence.
PubChem — compound identifiers and structure depictions (NIH/NCBI).
Related: AiZynthFinder / synthesis planning literature for computer-aided retrosynthesis.