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Home > Encyclopedia > Tetrahydrophthalic acid

Tetrahydrophthalic acid

Tetrahydrophthalic acid structure

Tetrahydrophthalic acid 

structure
  • CAS No:

    88-98-2

  • Formula:

    C8H10O4

  • Chemical Name:

    Tetrahydrophthalic acid

  • Synonyms:

    4-Cyclohexene-1,2-dicarboxylic acid;1,2,3,6-Tetrahydrophthalic acid;Tetrahydrophthalic acid;Δ4-Tetrahydrophthalic acid;NSC 239116;HN 200;Rikacid TH-W;115959-69-8;28778-04-3

  • Categories:

    Pharmaceutical Intermediates  >  Antispasticity Agents

Tetrahydrophthalic acid Basic Attributes

170.16300

170.16

201-872-7

402223|179400|239116

Characteristics

74.60000

0.73800

1.369±0.06 g/cm3(Predicted)

170-171 °C @ Solvent: Water

Safety Information

P280, P305+P351+P338, P310

H318

|Danger|H318 (97.92%): Causes serious eye damage [Danger Serious eye damage/eye irritation]|P280, P305+P351+P338, and P310|Aggregated GHS information provided by 49 companies from 4 notifications to the ECHA C&L Inventory.

Tetrahydrophthalic acid Use and Manufacturing

4-Cyclohexene-1,2-dicarboxylic acid, monocastor oil alkyl esters: INACTIVE|4-Cyclohexene-1,2-dicarboxylic acid: ACTIVE

Environmental transformation -> Pesticide transformation products (metabolite, successor)

THPAI is a known environmental transformation product of Captan.

Computed Properties

Molecular Weight:170.16
XLogP3:0.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:170.05790880
Monoisotopic Mass:170.05790880
Topological Polar Surface Area:74.6
Heavy Atom Count:12
Complexity:207
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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