4-Propylbenzoic acid
Plain text
Chemfused. (2026). 4-Propylbenzoic acid, CAS 2438-05-3. Retrieved 2026-09-02 from https://chemfused.com/cas/2438-05-3
BibTeX
@misc{chemfused-cas-2438053,
title = {4-Propylbenzoic acid, CAS 2438-05-3},
author = {Chemfused},
year = {2026},
url = {https://chemfused.com/cas/2438-05-3},
urldate = {2026-09-02}
}
4-Propylbenzoic acid (CAS 2438-05-3) is a chemical compound with molecular formula C10H12O2 and molecular weight 164.2 g/mol . GHS signal word: Warning. Hazard classifications: Health Hazard.
What is 4-Propylbenzoic acid?
- Molecular Formula
- C10H12O2
- Molecular Weight
- 164.20 g/mol
Description
4-propylbenzoic acid is an alkylbenzene.
Structure Identifiers
- SMILES
- CCCC1=CC=C(C=C1)C(=O)O
- InChI
- InChI=1S/C10H12O2/c1-2-3-8-4-6-9(7-5-8)10(11)12/h4-7H,2-3H2,1H3,(H,11,12)
- InChIKey
- ATZHGRNFEFVDDJ-UHFFFAOYSA-N
Properties
Computed
Calculated molecular descriptors used in drug design and computational chemistry.
- Exact Mass
- 164.0837 Da
- XLogP
- 3.40
- TPSA
- 37.3 Ų
- H-Bond Donors
- 1
- H-Bond Acceptors
- 2
- Complexity
- 146
- Formal Charge
- 0
Safety information
Signal Word
GHS Pictograms
GHS07
Hazard Statements
- H315 Causes skin irritation
Precautionary Statements
- P261 Avoid breathing dust/fume/gas/mist/vapours/spray
- P264 Wash thoroughly after handling
- P271 Use only outdoors or in a well-ventilated area
- P280 Wear protective gloves/protective clothing/eye protection/face protection
- P302+P352 IF ON SKIN: Wash with soap and water
- P304+P340 IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing
- P305+P351+P338 IF IN EYES: Rinse continuously with water for several minutes. Remove contact lenses if present and easy to do, continue rinsing
- P321 Specific treatment (see supplemental first aid instructions on this label)
- P403+P233 Store in a well-ventilated place. Keep container tightly closed
- P405 Store locked up
- P501 Dispose of contents/container to an approved waste disposal plant
Synonyms (59)
- 8ZU
- P0945
- AC7845
- F242581
- Fr13836
- SB67057
- AC-18362
- AS-10796
- SY039321
- 2438-05-3
- 607-366-6
- DB-046428
- EBC-49034
- NSC168993
- Q27257838
- SBB006558
- 3P1V85E45O
- CS-0076861
- F0001-0829
- NS00015567
- NSC 168993
- NSC-168993
- ST50405113
- Z285150282
- EN300-54920
- CHEBI:167819
- CHEMBL116159
- MFCD00013996
- SCHEMBL44017
- Tox21_112358
- AKOS000153018
- CAS-2438-05-3
- DTXCID3026564
- DTXSID5046564
- RefChem:526582
- SCHEMBL4396484
- SCHEMBL4814685
- SCHEMBL7519845
- SR-01000944760
- NCGC00166226-01
- NCGC00166226-02
- UNII-3P1V85E45O
- SBI-0653905.0001
- SR-01000944760-1
- Propyl p-benzoate
- 4-Propylbenzoic acid
- 4-propylbenzoic-acid
- P-PROPYLBENZOIC ACID
- 4-propyl benzoic acid
- 4-Propyl-benzoic acid
Show 9 more names Show fewer names
- 4-n-Propylbenzoic acid
- 4-Propylbenzoic acid #
- BRD-K42108215-001-01-5
- p-n-propylbenzoic acid
- Benzoic acid, 4-propyl-
- p-n-Propyl benzoic acid
- parapropyl benzoic acid
- 4-Propylbenzoic acid, 97%
- 4-​n-​Propylbenzoic acid
Frequently asked questions
What is the CAS number of 4-Propylbenzoic acid?
The CAS Registry Number for 4-Propylbenzoic acid is 2438-05-3.
What is the molecular formula of 4-Propylbenzoic acid?
4-Propylbenzoic acid has the molecular formula C10H12O2 and a molecular weight of 164.2 g/mol.
What is the SMILES notation for 4-Propylbenzoic acid?
The SMILES notation for 4-Propylbenzoic acid is CCCC1=CC=C(C=C1)C(=O)O.
Is 4-Propylbenzoic acid hazardous?
4-Propylbenzoic acid carries the following GHS hazard classifications: Health Hazard. Signal word: Warning.
What are other names for 4-Propylbenzoic acid?
4-Propylbenzoic acid is also known as 2438-05-3, 3P1V85E45O, 4-​n-​Propylbenzoic acid, 4-n-Propylbenzoic acid, 4-propyl benzoic acid.
Data sourced from PubChem CID 137601. Last updated .
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