Basic information
- CAS
138-25-0- Standard SMILES
COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)O)c1- InChIKey
HTXMGVTWXZBZNC-UHFFFAOYSA-N- Molecular formula
- C10H10O7S
- Average molar mass
- 274.25 g/mol
- Monoisotopic mass
- 274.01472366
Names & identifiers
- Preferred name
- 1,3-Dimethyl 5-sulfoisophthalate
- IUPAC
- 3,5-bis(methoxycarbonyl)benzenesulfonic acid
- English name
- dimethyl 5-sulphoisophthalate
- Molecular formula
- C10H10O7S
- Molecular weight
- 274.25
Names & synonyms
1,3-dimethyl 5-sulfoisophthalate3,5-bis(methoxycarbonyl)benzenesulfonic acidJS70NYE79X1,3-Benzenedicarboxylic acid, 5-sulfo-, 1,3-dimethyl esterIsophthalic acid, 5-sulfo-, 1,3-dimethyl esterDTXSID90270715-SULFOISOPHTHALIC ACID, 1,3-DIMETHYL ESTERRefChem:414534DTXCID207071138-25-0dimethyl-5-sulfoisophthalate1,3-Dimethyl 5-sulfo-1,3-benzenedicarboxylate
Show more names
Dimethyl Isophthalate-5-sulfonate3,5-dicarbomethoxybenzenesulfonic acid5-Sulfoisophthalic acid 1,3-dimethyl ester5-Sulfo-1,3-benzenedicarboxylic acid 1,3-dimethyl ester
Dimethyl 5-sulphoisophthalateDimethyl 5-sulfoisophthalate sodium saltEINECS 205-320-6UNII-JS70NYE79Xdimethyl 5-sulfoisophthalateCDS1_004360CBMicro_0239443,5-Bis(methoxycarbonyl)benzene-1-sulfonic acid
Database identifiers
- CAS
138-25-0- PubChem CID
- 67310
- DTXSID
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 398
Experimental & physicochemical properties
Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physicochemical properties
- Density
- 1.458 · 1.458±0.06 g/cm3(Predicted)
- pka
- -1.34 · -1.34±0.30(Predicted)
- Indirect Additives used in Food Contact Substances
- 1 · 1,3-DIMETHYL 5-SULFOISOPHTHALATE
- FDA 21 CFR
- 175.105 · 175.105
- FDA UNII
- 70 NYE79X · JS70NYE79X
- EPA Substance Registry System
- 1 · 1,3-dimethyl 5-sulfoisophthalate (138-25-0)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,3-Benzenedicarboxylic acid, 5-sulfo-, 1,3-dimethyl ester: INACTIVE
Suppliers3 total
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
Related reactions
1 records
Compound notes
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