4-Butylbenzoic acid

• CAS: 20651-71-2
• Catalog Number: ACM20651712
• Category: Organic & Printed Electronics
• Molecular Weight: 178.23
• Molecular Formula: C11H14O2
• Synonyms: P-N-Butylbenzoic Acid
• IUPAC Name: 4-butylbenzoic acid
• Canonical SMILES: CCCCC1=CC=C(C=C1)C(=O)O
• InChI: InChI=1S/C11H14O2/c1-2-3-4-9-5-7-10(8-6-9)11(12)13/h5-8H,2-4H2,1H3,(H,12,13)
• InChI Key: JFKUBRAOUZEZSL-UHFFFAOYSA-N
• Boiling Point: 313 ºC
• Melting Point: 100-113 ºC
• Flash Point: 141.6ºC
• Density: 1.062 g/ml
• Appearance: White crystalline powder
• Storage: Sealed in dry. Room temperature.
• Exact Mass: 178.09900
• Hazard Statements: H315 : Causes skin irritation.H319 : Causes serious eye irritation.H402 : Harmful to aquatic life.
• H-Bond Acceptor: 2
• H-Bond Donor: 1
• MDL Number: MFCD00002571
• Precautionary Statements: P501 : Dispose of contents/ container to an approved waste disposal plant.P273 : Avoid release to the environment.P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ eye protection/ face protection.P337 + P313 : If eye irritation persists: Get medical advice/ attention.P305 + P351 + P338 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.P302 + P352 : IF ON SKIN: Wash with plenty of soap and water.P332 + P313 : If skin irritation occurs: Get medical advice/ attention.P362 : Take off contaminated clothing and wash before reuse.
• Safety Description: S26-S37/39
• Signal Word: Warning
• Stability: Stable under normal temperatures and pressures.
• WGK Germany: 3

Custom Q&A

What is the molecular formula of 4-Butylbenzoic acid according to the reference?

The molecular formula of 4-Butylbenzoic acid is C11H14O2.

When was the PubChem CID for 4-Butylbenzoic acid created and last modified?

The PubChem CID for 4-Butylbenzoic acid was created on 2005-03-27 and last modified on 2023-12-02.

What is the IUPAC name of 4-Butylbenzoic acid?

The IUPAC name of 4-Butylbenzoic acid is 4-butylbenzoic acid.

What is the InChIKey of 4-Butylbenzoic acid?

The InChIKey of 4-Butylbenzoic acid is JFKUBRAOUZEZSL-UHFFFAOYSA-N.

How many hydrogen bond donor counts does 4-Butylbenzoic acid have?

4-Butylbenzoic acid has 1 hydrogen bond donor count.

What is the topological Polar Surface Area of 4-Butylbenzoic acid?

The topological Polar Surface Area of 4-Butylbenzoic acid is 37.3Ų.

Is the compound canonicalized according to PubChem?

Yes, the compound is canonicalized according to PubChem.

What is the molecular weight of 4-Butylbenzoic acid?

The molecular weight of 4-Butylbenzoic acid is 178.23 g/mol.

How many rotatable bond counts does 4-Butylbenzoic acid have?

4-Butylbenzoic acid has 4 rotatable bond counts.

What is the Covalently-Bonded Unit Count of 4-Butylbenzoic acid?

The Covalently-Bonded Unit Count of 4-Butylbenzoic acid is 1.