4-Methoxyphthalic acid

HCID 74665

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 1885-13-8
Standard SMILES: COc1ccc(C(=O)O)c(C(=O)O)c1
InChIKey: JKZSIEDAEHZAHQ-UHFFFAOYSA-N
Molecular formula: C9H8O5
Average molar mass: 196.16 g/mol
Monoisotopic mass: 196.03717336

Names & identifiers

Preferred name: 4-Methoxyphthalic acid
IUPAC: 4-methoxyphthalic acid
English name: 4-Methoxyphthalic acid
Molecular formula: C9H8O5
Molecular weight: 196.16

Names & synonyms

4-Methoxyphthalic acid1885-13-8EINECS 217-546-2DTXSID90172200RefChem:524820DTXCID6094691217-546-24-methoxybenzene-1,2-dicarboxylic acid1,2-Benzenedicarboxylic acid, 4-methoxy-4-Methoxyphthalicacid4-Methoxy-phthalic acidMFCD00094739

Show more names

AKOS 212-42RARECHEM AL BO 17434-METHOXYPHTALIC ACID4-MethoxyphthalicAcid>Phthalic acid, 4-methoxy-4-METHOXYPHTHALIC ACID,98+%

SCHEMBL383820AKOS000276865CS-W008989FT-0633893orb32159731,2-Benzenedicarboxylic acid 4-methoxy-SY053080TS-00303

Database identifiers

CAS: 1885-13-8
PubChem CID: 74665
DTXSID: DTXSID90172200
EC Number: 217-546-2
Nikkaji: J199.706H

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 83.8 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 3
Heavy atoms: 14
Formal charge: 0
Complexity: 237

Experimental & physicochemical properties

Endocrine DisruptorsPotential endocrine disrupting compound

Physicochemical properties

Melting point: 178 °C · 178 °C(Solv: water (7732-18-5))
Boiling point: 394 · 394.0±27.0 °C(Predicted)
Density: 1.416 · 1.416±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
solubility: almost transparency in Methanol
form: powder to crystal
pka: 3.13 · 3.13±0.10(Predicted)
color: White to Orange to Green
CAS DataBase Reference: 1885 · 1885-13-8(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
HS Code: 29189900 · 29189900

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

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

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

hs_code: 29189900
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 26-36
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313