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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 89971Generated: October 26, 2026

1,3-Benzenedicarboxylic acid, 4-methyl-, 1,3-dimethyl ester

Einecs 245-393-1 · dimethyl 4-methylisophthalate · 4-Methyl-diMethyl isophthalate · 4-Methylisophthalic acid dimethyl ester · Dimethyl 4-methyl-1,3-benzenedicarboxylate · 1,3-Benzenedicarboxylic acid, 4-methyl-, dimethyl ester · 1,3-Benzenedicarboxylic acid, 4-methyl-, 1,3-dimethyl ester

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1,3-Benzenedicarboxylic acid, 4-methyl-, 1,3-dimethyl ester molecular structure

Identifiers & Physical Properties

CAS No.23038-61-1
Molecular formulaC11H12O4
Average molar mass208.21 g/mol
Monoisotopic mass208.07355886 g/mol
SMILESCOC(=O)c1ccc(C)c(C(=O)OC)c1
InChIKeyMTDRWWFCMSDTBL-UHFFFAOYSA-N
PubChem CID89971
EC No.245-393-1
DTXSIDDTXSID3066849

Chemical & Physical Properties

XLogP2.6
Topological polar surface area52.6
Hydrogen bond donors0
Hydrogen bond acceptors4
Rotatable bonds4
Heavy atoms15
Formal charge0
Complexity249
Boiling point284.3±20.0 °C(Predicted)
Density1.147±0.06 g/cm3(Predicted)
Storage conditions2-8°C
AppearanceWhite to off-white Solid
EPA Substance Registry SystemDimethyl 4-methylisophthalate (23038-61-1)
GHS pictogramGHS07
Signal wordWarning
GHS hazard statementsH302-H315-H319-H335
GHS precautionary statementsP261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
TSCA inventory statusTSCA listed

Safety & Regulations

TSCA inventory statusTSCA listed
Signal wordWarning
GHS pictogramGHS07
GHS hazard statementsH302-H315-H319-H335
GHS precautionary statementsP261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501