Dimethyl isophthalate

C10H10O4CAS 1459-93-4194.19 g/mol

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Ester

Properties

Molecular formula
C10H10O4
Molar mass
194.19 g/mol
Exact mass
194.0579 Da
Density
1.194 g/mL (at 20 °C)
Melting point
67.5 °C
Boiling point
282 °C
Flash point
137.8 °C (closed cup)
Water solubility
290 mg/L
logP
1.26Crippen estimate
Polar surface area
52.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 152 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264+P265, P280, P305+P351+P338, P337+P317

Identifiers

CAS number
1459-93-4
SMILES
COC(=O)c1cccc(C(=O)OC)c1
InChIKey
VNGOYPQMJFJDLV-UHFFFAOYSA-N
InChI
InChI=1S/C10H10O4/c1-13-9(11)7-4-3-5-8(6-7)10(12)14-2/h3-6H,1-2H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

13 names · show all
  • 1,3-Benzenedicarboxylic acid, 1,3-dimethyl ester
  • Isophthalic acid, dimethyl ester
  • 1,3-Benzenedicarboxylic acid, dimethyl ester
  • Dimethyl m-phthalate
  • Dimethyl 1,3-benzenedicarboxylate
  • Methyl isophthalate
  • Methyl 3-carbomethoxybenzoate
  • Morflex 1129
  • NSC 15313
  • 1,3-Di(methoxycarbonyl)benzene
  • DMIP
  • Dimethy isophthalate
  • 1,3-Dimethyl benzene-1,3-dicarboxylate

Work with Dimethyl isophthalate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Mono-methyl isophthalate1877-71-076 % similar m-Chlorobenzoic acid methyl ester2905-65-975 % similar Methyl m-fluorobenzoate455-68-575 % similar Methyl 3-bromobenzoate618-89-375 % similar Methyl m-toluate99-36-575 % similar Trimethyl benzene-1,3,5-tricarboxylate2672-58-474 % similar Methyl 3-hydroxybenzoate19438-10-972 % similar Methyl 3-aminobenzoate4518-10-972 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1,3-Dihydroxybenzene diacetate108-58-7 Ferulic acid1135-24-6 Hydroquinone diacetate1205-91-0 Dimethyl terephthalate120-61-6 Dimethyl phthalate131-11-3 Methyl 5-acetylsalicylate16475-90-4 3-Acetoxy-O-toluic acid168899-58-9 Kakuol18607-90-4

Elsewhere

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