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Substance Name: Dimethyl isophthalate
RN: 1459-93-4
UNII: 2UY9Y3574K
InChIKey: VNGOYPQMJFJDLV-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C10-H10-O4

Molecular Weight

  • 194.185
 
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Names and Synonyms

Name of Substance

  • Dimethyl isophthalate

Synonyms

  • 1,3-Benzenedicarboxylic acid, dimethyl ester
  • 4-09-00-03293 (Beilstein Handbook Reference)
  • AI3-02247
  • BRN 1912251
  • Dimethyl 1,3-benzenedicarboxylate
  • Dimethyl isophthalate
  • Dimethyl m-phthalate
  • Dimethylester kyseliny isoftalove
  • Dimethylester kyseliny isoftalove [Czech]
  • EC 215-951-9
  • EINECS 215-951-9
  • HSDB 6138
  • Isophthalic acid dimethyl ester
  • Methyl 3-(carbomethoxy)benzoate
  • Methyl isophthalate
  • Morflex 1129
  • NSC 15313
  • UNII-2UY9Y3574K

Systematic Names

  • 1,3-Benzenedicarboxylic acid, 1,3-dimethyl ester
  • 1,3-Benzenedicarboxylic acid, dimethyl ester
  • Dimethyl isophthalate
  • Isophthalic acid, dimethyl ester

Superlist Name

  • Isophthalic acid, dimethyl ester

Registry Numbers

CAS Registry Number

  • 1459-93-4

FDA UNII

  • 2UY9Y3574K

Other Registry Number

  • 1352054-39-7

System Generated Number

  • 0001459934

Structure Descriptors

InChI

1S/C10H10O4/c1-13-9(11)7-4-3-5-8(6-7)10(12)14-2/h3-6H,1-2H3

InChIKey

VNGOYPQMJFJDLV-UHFFFAOYSA-N

Smiles

c1(cc(C(=O)OC)ccc1)C(=O)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 971mg/kg (971mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE
Journal of Pharmaceutical Sciences. Vol. 56, Pg. 1446, 1967.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 67.5 deg C   EXP
Boiling Point 282 deg C   EXP
log P (octanol-water) 1.660 (none)   EST
Water Solubility 290 mg/L   EXP
Vapor Pressure 9.63E-03 mm Hg 25 EST
Henry's Law Constant 6.14E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 6.36E-13 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.