3-Heptanol

• CAS: 589-82-2
• Catalog Number: ACM589822
• Category: Aryl
• Molecular Weight: 116.2
• Molecular Formula: C₇H₁₆O
• Synonyms: 1-Ethyl-1-pentanol
• IUPAC Name: Heptan-3-ol
• Canonical SMILES: CCCCC(CC)O
• InChI: InChI=1S/C7H16O/c1-3-5-6-7(8)4-2/h7-8H,3-6H2,1-2H3
• InChI Key: RZKSECIXORKHQS-UHFFFAOYSA-N
• Boiling Point: 66 °C
• Melting Point: -70 °C
• Flash Point: 130 °F
• Density: 0.818 g/mL at 25 °C(lit.)
• Solubility: Insoluble in water; soluble in alcohol
• Exact Mass: 116.12011513
• Hazard Statements: H225
• Monoisotopic Mass: 116.12011513
• Physical State: Liquid
• Refractive Index: n20/D 1.421(lit.)
• RIDADR: UN 1987C 3 / PGIII
• Storage Conditions: 2-8 °C
• Symbol: GHS02
• Topological Polar Surface Area: 20.2 Ų

Custom Q&A

What is the molecular formula of 3-Heptanol?

The molecular formula of 3-Heptanol is C7H16O.

What are some synonyms for 3-Heptanol?

Some synonyms for 3-Heptanol include heptan-3-ol, 3-Hydroxyheptane, and Butyl ethyl carbinol.

What is the molecular weight of 3-Heptanol?

The molecular weight of 3-Heptanol is 116.20 g/mol.

Where is 3-Heptanol found naturally?

3-Heptanol is a natural product found in Coffea arabica, Aspalathus linearis, and other organisms.

What is the IUPAC name of 3-Heptanol?

The IUPAC name of 3-Heptanol is heptan-3-ol.

What is the InChIKey of 3-Heptanol?

The InChIKey of 3-Heptanol is RZKSECIXORKHQS-UHFFFAOYSA-N.

How many hydrogen bond donor counts does 3-Heptanol have?

3-Heptanol has 1 hydrogen bond donor count.

What is the rotatable bond count of 3-Heptanol?

The rotatable bond count of 3-Heptanol is 4.

What is the topological polar surface area of 3-Heptanol?

The topological polar surface area of 3-Heptanol is 20.2 Ų.

What is the complexity of 3-Heptanol?

The complexity of 3-Heptanol is 43.7.