(4-Ethylphenyl)acetic acid

HCID 84403CAS 14387-10-1

Substructure search Find similar structures

Basic information

Standard SMILES: CCc1ccc(CC(=O)O)cc1
InChIKey: QMBLXRHXCGJOGU-UHFFFAOYSA-N
Molecular formula: C10H12O2
Average molar mass: 164.2 g/mol
Monoisotopic mass: 164.08372962

Names & identifiers

Preferred name: (4-Ethylphenyl)acetic acid
IUPAC: 2-(4-ethylphenyl)acetic acid
English name: 2-(4-ethylphenyl)acetic acid
Molecular formula: C10H12O2
Molecular weight: 164.2

Names & synonyms

(4-ethylphenyl)acetic acid4-Ethylbenzeneacetic acidRefChem:402786802-180-314387-10-12-(4-ethylphenyl)acetic acidBenzeneacetic acid, 4-ethyl-4-Ethylphenylacetic acidMFCD006053302-(4-Ethylphenyl)aceticacid2-(4-Ethylphenyl)acetic Acid; 4-Ethylphenylacetic Acid; p-Ethylphenylacetic Acid4-Ethyl-benzeneacetic acid

Show more names

(4-ethylphenyl)acetic acid(SALTDATA: FREE)

SCHEMBL1562072-(4-ethylphenyl)ethanoic acidSCHEMBL28179511DTXSID30162564Essigsaure-[athyl-4-phenyl]-esterALBB-012187STL195413AKOS000295880

Database identifiers

CAS: 14387-10-1
PubChem CID: 84403
DTXSID: DTXSID30162564
EC Number: 802-180-3
Nikkaji: J136.975J

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 37.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 12
Formal charge: 0
Complexity: 146

Experimental & physicochemical properties

LogP2.43

Physicochemical properties

storage temp.: 2 · 2-8°C
pka: 1 · pK1:4.373 (25°C)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
HazardClass: IRRITANT

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
hazard_class: IRRITANT
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P301+P312-P302+P352-P304+P340-P305+P351+P338

Chemistry & industry

Applications

Uses(4-Ethylphenyl)acetic acid is a reagent used in the synthesis of p-Ethylhydratropic Acid (E918820), which is an impurity of ibuprofen (I140000).