4-Hexylbenzoic Acid

• CAS: 21643-38-9
• Catalog Number: ACM21643389
• Category: Organic & Printed Electronics
• Molecular Weight: 206.29
• Molecular Formula: C13H18O2
• Synonyms: p -n -Hexylbenzoic acid,p -Hexylbenzoic acid
• IUPAC Name: 4-hexylbenzoic acid
• InChI: InChI=1S/C13H18O2/c1-2-3-4-5-6-11-7-9-12(10-8-11)13(14)15/h7-10H,2-6H2,1H3,(H,14,15)
• InChI Key: CPEPWESLFZVUEP-UHFFFAOYSA-N
• Boiling Point: 330.3ºC at 760mmHg
• Melting Point: 95-97ºC
• Flash Point: 157.5ºC
• Density: 1.027g/cm³
• Appearance: White to Almost white powder to crystal
• Exact Mass: 206.13100
• Hazard Statements: H315 : Causes skin irritation.H319 : Causes serious eye irritation.
• H-Bond Acceptor: 2
• H-Bond Donor: 1
• MDL Number: MFCD00013997
• Precautionary Statements: 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: S22-S24/25
• Signal Word: Warning
• WGK Germany: 3

Custom Q&A

What is the molecular formula of 4-Hexylbenzoic acid?

The molecular formula of 4-Hexylbenzoic acid is C13H18O2.

What is the molecular weight of 4-Hexylbenzoic acid?

The molecular weight of 4-Hexylbenzoic acid is 206.28 g/mol.

What is the IUPAC name of 4-Hexylbenzoic acid?

The IUPAC name of 4-Hexylbenzoic acid is 4-hexylbenzoic acid.

What is the InChI key of 4-Hexylbenzoic acid?

The InChI key of 4-Hexylbenzoic acid is CPEPWESLFZVUEP-UHFFFAOYSA-N.

What is the canonical SMILES of 4-Hexylbenzoic acid?

The canonical SMILES of 4-Hexylbenzoic acid is CCCCCCC1=CC=C(C=C1)C(=O)O.

What is the CAS number of 4-Hexylbenzoic acid?

The CAS number of 4-Hexylbenzoic acid is 21643-38-9.

What is the European Community (EC) number of 4-Hexylbenzoic acid?

The European Community (EC) number of 4-Hexylbenzoic acid is 244-490-6.

What is the UNII of 4-Hexylbenzoic acid?

The UNII of 4-Hexylbenzoic acid is VF567YY01P.

What is the DSSTox Substance ID of 4-Hexylbenzoic acid?

The DSSTox Substance ID of 4-Hexylbenzoic acid is DTXSID7066720.

What is the XLogP3 value of 4-Hexylbenzoic acid?

The XLogP3 value of 4-Hexylbenzoic acid is 5.1.