4-Methoxyphenylacetic Acid

HCID 7690CAS 104-01-8

Basic information

Standard SMILES
COc1ccc(CC(=O)O)cc1
InChIKey
NRPFNQUDKRYCNX-UHFFFAOYSA-N
Molecular formula
C9H10O3
Average molar mass
166.17 g/mol
Monoisotopic mass
166.06299418

Overview

4-methoxyphenylacetic acid appears as pale yellow or off white colored flakes. Severely irritates skin and eyes. May be toxic by ingestion.

Names & identifiers

Preferred name
4-Methoxyphenylacetic Acid
IUPAC
2-(4-methoxyphenyl)acetic acid

Names & synonyms

4-Methoxyphenylacetic acid104-01-82-(4-methoxyphenyl)acetic acidHomoanisic acidBenzeneacetic acid, 4-methoxy-p-Methoxyphenylacetic acid(4-Methoxyphenyl)acetic acid4-Methoxybenzeneacetic acid2-(p-Anisyl)acetic acid(p-Methoxyphenyl)acetic acidp-Anisylacetic acidHomoanisate
Show more names
NSC 27799EINECS 203-166-4Acetic acid, (p-methoxyphenyl)-4-methoxyphenylacetatep-Methoxy-alpha-toluic acidAJP2V8U5K6Homo-p-anisic acidAcetic acid, p-methoxyphenyl-

Database identifiers

CAS
104-01-8
PubChem CID
7690
DTXSID
DTXSID1059288
ChEMBL
CHEMBL1760597
ChEBI
CHEBI:55501
UNII
AJP2V8U5K6
EC Number
203-166-4
Nikkaji
J10.116H

Properties

Computed structural properties

XLogP
1.4
Topological polar surface area
46.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
12

Experimental & physicochemical properties

SpringerMaterials PropertiesChemical shift
LogP · 2 items

1.42

1.48

Solubility18 mg/mL
Boiling Point138.00 to 140.00 °C. @ 3.00 mm Hg
Melting Point87 °C
Physical Description · 2 items

4-methoxyphenylacetic acid appears as pale yellow or off white colored flakes. Severely irritates skin and eyes. May be toxic by ingestion.

Solid

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (> 99.9%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 1334 reports by companies from 8 notifications to the ECHA C&L Inventory.

Hazard information

Regulatory Information · 3 items

Chemical: Benzeneacetic acid, 4-methoxy-

Status: Cease Manufacture Update: 30-06-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/18981

4-Methoxphenylacetic Acid: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - Benzeneacetic acid, 4-methoxy-: Human health tier I assessment
DOT LabelCorrosive
Fire HazardsExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
Health HazardsExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
Reactive GroupAcids, Carboxylic

Safety & protection

Fire FightingExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
First AidExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
Nonfire Spill ResponseExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
Isolation and EvacuationExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
Personal Protective Equipment (PPE)Excerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzeneacetic acid, 4-methoxy-: ACTIVE

Related reactions

1,382 records

Linked notes

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