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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 67310Generated: November 4, 2026

1,3-Dimethyl 5-sulfoisophthalate

dimethyl 5-sulphoisophthalate · Dimethyl Isophthalate-5-sulfonate · 3,5-dicarbomethoxybenzenesulfonic acid · 5-Sulfoisophthalic acid 1,3-dimethyl ester · 3,5-Bis(methoxycarbonyl)benzenesulfonic acid · 5-Sulfo-1,3-benzenedicarboxylic acid 1,3-dimethyl ester · 1,3-benzenedicarboxylic acid, 5-sulfo-, 1,3-dimethyl ester

https://huagongshe.com/en/chemical/67310

1,3-Dimethyl 5-sulfoisophthalate molecular structure

Identifiers & Physical Properties

CAS No.138-25-0
Molecular formulaC10H10O7S
Average molar mass274.25 g/mol
Monoisotopic mass274.01472366 g/mol
SMILESCOC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)O)c1
InChIKeyHTXMGVTWXZBZNC-UHFFFAOYSA-N
PubChem CID67310
ChEMBLCHEMBL3306796
EC No.205-320-6
DTXSIDDTXSID9027071

Chemical & Physical Properties

XLogP0.4
Topological polar surface area115
Hydrogen bond donors1
Hydrogen bond acceptors7
Rotatable bonds5
Heavy atoms18
Formal charge0
Complexity398
Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Density1.458±0.06 g/cm3(Predicted)
pKa (acidity coefficient)-1.34±0.30(Predicted)
Indirect Additives used in Food Contact Substances1,3-DIMETHYL 5-SULFOISOPHTHALATE
FDA 21 CFR175.105
FDA UNIIJS70NYE79X
EPA Substance Registry System1,3-dimethyl 5-sulfoisophthalate (138-25-0)
TSCA inventory statusTSCA listed

Safety & Regulations

TSCA inventory statusTSCA listed