1-ethylhexanol

Catalog Number

ACM589980-1

CAS

589-98-0

Structure

Synonyms

3-0ctanol

IUPAC Name

Octan-3-ol

Molecular Weight

130.23

Molecular Formula

CH3(CH2)4CH(OH)CH2CH3

Canonical SMILES

CCCCCC(CC)O

InChI

InChI=1S/C8H18O/c1-3-5-6-7-8(9)4-2/h8-9H,3-7H2,1-2H3

InChI Key

NMRPBPVERJPACX-UHFFFAOYSA-N

Boiling Point

174 - 176 °C

Melting Point

− 45 °C

Purity

95%+

Density

0.818 g/mL

Appearance

Clear colorless liquid

• Catalog Number: ACM589980-1
• CAS: 589-98-0
• Synonyms: 3-0ctanol
• IUPAC Name: Octan-3-ol
• Molecular Weight: 130.23
• Molecular Formula: CH3(CH2)4CH(OH)CH2CH3
• Canonical SMILES: CCCCCC(CC)O
• InChI: InChI=1S/C8H18O/c1-3-5-6-7-8(9)4-2/h8-9H,3-7H2,1-2H3
• InChI Key: NMRPBPVERJPACX-UHFFFAOYSA-N
• Boiling Point: 174 - 176 °C
• Melting Point: − 45 °C
• Purity: 95%+
• Density: 0.818 g/mL
• Appearance: Clear colorless liquid