1-Octanol

Catalog Number

ACM111875-1

CAS

111-87-5

Structure

Description

1-Octanol may be used to prepare octanal via aerobic oxidation a polymer-supported 2,2,6,6-tetramethylpiperidine-N-oxyl as catalyst and Co(NO3)2 and Mn(NO3)2 as co-catalysts.

Synonyms

Heptyl carbinol

IUPAC Name

Octan-1-ol

Molecular Weight

130.23

Molecular Formula

C8H18O

Canonical SMILES

CCCCCCCCO

InChI

InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3

InChI Key

KBPLFHHGFOOTCA-UHFFFAOYSA-N

Boiling Point

196 °C(lit.)

Melting Point

-15 °C(lit.)

Flash Point

178 °F

Purity

99%

Density

0.827 g/mL at 25 °C(lit.)

Solubility

Partially soluble in water

Appearance

Liquid

Storage

Store below +30 °C

Complexity

43.8

EC Number

203-917-6

Exact Mass

130.135765193

Linear Formula

CH3(CH2)7OH

MDL Number

MFCD00002988

Monoisotopic Mass

130.135765193

REAXYS Number

1697461

Refractive Index

n20/D 1.429(lit.)

Stability

Stable. Flammable. Incompatible with strong oxidizing agents.

Topological Polar Surface Area

20.2 Ų

• Catalog Number: ACM111875-1
• CAS: 111-87-5
• Description: 1-Octanol may be used to prepare octanal via aerobic oxidation a polymer-supported 2,2,6,6-tetramethylpiperidine-N-oxyl as catalyst and Co(NO3)2 and Mn(NO3)2 as co-catalysts.
• Synonyms: Heptyl carbinol
• IUPAC Name: Octan-1-ol
• Molecular Weight: 130.23
• Molecular Formula: C8H18O
• Canonical SMILES: CCCCCCCCO
• InChI: InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3
• InChI Key: KBPLFHHGFOOTCA-UHFFFAOYSA-N
• Boiling Point: 196 °C(lit.)
• Melting Point: -15 °C(lit.)
• Flash Point: 178 °F
• Purity: 99%
• Density: 0.827 g/mL at 25 °C(lit.)
• Solubility: Partially soluble in water
• Appearance: Liquid
• Storage: Store below +30 °C
• Complexity: 43.8
• EC Number: 203-917-6
• Exact Mass: 130.135765193
• Linear Formula: CH3(CH2)7OH
• MDL Number: MFCD00002988
• Monoisotopic Mass: 130.135765193
• REAXYS Number: 1697461
• Refractive Index: n20/D 1.429(lit.)
• Stability: Stable. Flammable. Incompatible with strong oxidizing agents.
• Topological Polar Surface Area: 20.2 Ų