Heptyl butyrate

• CAS: 5870-93-9
• Catalog Number: ACM5870939
• Category: Other Products
• Molecular Weight: 186.29
• Molecular Formula: C11H22O2
• Synonyms: Butanoic acid, heptyl ester
• IUPAC Name: Heptyl butanoate
• Canonical SMILES: CCCCCCCOC(=O)CCC
• InChI: InChI=1S/C11H22O2/c1-3-5-6-7-8-10-13-11(12)9-4-2/h3-10H2,1-2H3
• InChI Key: JPQHLIYIQARLQM-UHFFFAOYSA-N
• Boiling Point: 225-226 °C
• Melting Point: -58 °C
• Flash Point: 195 °F
• Density: 0.864 g/mL at 25 °C(lit.)
• Solubility: Soluble in alcohol, propylene glycol; insoluble in water
• Exact Mass: 186.16197994
• Monoisotopic Mass: 186.16197994
• Odor: Camomile odor
• Physical State: Liquid
• Refractive Index: n20/D 1.4215(lit.)
• Topological Polar Surface Area: 26.3 Ų

Custom Q&A

What is the molecular formula of Heptyl butyrate?

The molecular formula is C11H22O2.

What is the molecular weight of Heptyl butyrate?

The molecular weight is 186.29 g/mol.

What is the IUPAC name of Heptyl butyrate?

The IUPAC name is heptyl butanoate.

What is the InChIKey of Heptyl butyrate?

The InChIKey is JPQHLIYIQARLQM-UHFFFAOYSA-N.

What is the Canonical SMILES of Heptyl butyrate?

The Canonical SMILES is CCCCCCCOC(=O)CCC.

What is the CAS number of Heptyl butyrate?

The CAS number is 5870-93-9.

What is the European Community (EC) Number of Heptyl butyrate?

The European Community (EC) Number is 227-526-5.

How many hydrogen bond acceptors are there in Heptyl butyrate?

There are 2 hydrogen bond acceptors.

How many rotatable bond counts are there in Heptyl butyrate?

There are 9 rotatable bond counts.

What is the topological polar surface area of Heptyl butyrate?

The topological polar surface area is 26.3 Ų.