2-Heptanol

• CAS: 543-49-7
• Catalog Number: ACM543497
• Category: Alcohols
• Molecular Weight: 116.2
• Molecular Formula: C7H16O
• Synonyms: 2-Heptyl alcohol
• IUPAC Name: Heptan-2-ol
• SMILES: CCCCCC(C)O
• InChI: InChI=1S/C7H16O/c1-3-4-5-6-7(2)8/h7-8H,3-6H2,1-2H3
• InChI Key: CETWDUZRCINIHU-UHFFFAOYSA-N
• Boiling Point: 160-162 °C
• Melting Point: -30.15 °C
• Flash Point: 140 °F
• Density: 0.817 g/mL at 25 °C(lit.)
• Solubility: Soluble in alcohol and ether, slightly soluble in water
• Appearance: Colorless liquid
• Assay: 0.9999
• Complexity: 44
• Defined Atom Stereocenter Count: 0
• EC Number: 208-844-3
• Exact Mass: 116.12011513
• Formal Charge: 0
• Hazard Statements: H226-H332
• Heavy Atom Count: 8
• Hydrogen Bond Acceptor Count: 1
• Hydrogen Bond Donor Count: 1
• Isotope Atom Count: 0
• MDL Number: MFCD00004587
• Monoisotopic Mass: 116.12011513
• Packaging: 1 kg
• Physical State: Liquid
• Refractive Index: n20/D 1.420(lit.)
• RIDADR: NONH for all modes of transport
• Rotatable Bond Count: 4
• Stability: Stable. Flammable. Incompatible with strong oxidizing agents, strong acids.
• Storage Conditions: Below +30 °C
• Symbol: GHS02
• Topological Polar Surface Area: 20.2 Ų
• XLogP3-AA: 2.3

Custom Q&A

What is the molecular formula of 2-Heptanol?

The molecular formula of 2-Heptanol is C7H16O.

What is the molecular weight of 2-Heptanol?

The molecular weight of 2-Heptanol is 116.20 g/mol.

Is 2-Heptanol soluble in water?

2-Heptanol is insoluble in water.

What is the odor of 2-Heptanol?

2-Heptanol has a mild alcohol odor.

What is the IUPAC Name of 2-Heptanol?

The IUPAC Name of 2-Heptanol is heptan-2-ol.

What is the InChI of 2-Heptanol?

The InChI of 2-Heptanol is InChI=1S/C7H16O/c1-3-4-5-6-7(2)8/h7-8H,3-6H2,1-2H3.

What is the Canonical SMILES of 2-Heptanol?

The Canonical SMILES of 2-Heptanol is CCCCCC(C)O.

What is the CAS number of 2-Heptanol?

The CAS number of 2-Heptanol is 543-49-7.

Is 2-Heptanol toxic?

2-Heptanol is moderately toxic.

How is 2-Heptanol used?

2-Heptanol is used as a solvent for various resins and as a flotation agent for ore processing.