Tetrahydrophthalic Acid - CAS 88-98-2
Catalog: |
BB057022 |
Product Name: |
Tetrahydrophthalic Acid |
CAS: |
88-98-2 |
Synonyms: |
1,2,3,6-Tetrahydrophthalic Acid; HN 200; NSC 239116; Rikacid TH-W; Δ4-Tetrahydrophthalic Acid |
Related CAS: | 2305-26-2
|
IUPAC Name: | cyclohex-4-ene-1,2-dicarboxylic acid |
Description: | Tetrahydrophthalic Acid is a plasticizer; used in preparation method of concrete coating. Also, used in preparation method of polyester resin for two-piece can ink. |
Molecular Weight: | 170.16 |
Molecular Formula: | C8H10O4 |
Canonical SMILES: | C1C=CCC(C1C(=O)O)C(=O)O |
InChI: | InChI=1S/C8H10O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-2,5-6H,3-4H2,(H,9,10)(H,11,12) |
InChI Key: | ILUAAIDVFMVTAU-UHFFFAOYSA-N |
Melting Point: | 161 - 163°C |
Solubility: | Acetone (Slightly), Methanol (Slightly) |
Appearance: | White to Off-White Solid |
Storage: | -20°C Freezer, Under inert atmosphere |
References: | Mao, X., et al. Faming Zhuanli Shenqing, (2020); Zhang, L., et al. Faming Zhuanli Shenqing, (2020). |
GHS Hazard Statement: | H318 (97.92%): Causes serious eye damage [Danger Serious eye damage/eye irritation] |
Precautionary Statement: | P264+P265, P280, P305+P354+P338, and P317 |
Signal Word: | Danger |
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PMID | Publication Date | Title | Journal |
15483724 | 20041021 | Metal-oxygen-metal arrays in lamellar hybrid materials: cobalt and manganese 4-cyclohexene-1,2-dicarboxylates | Dalton transactions (Cambridge, England : 2003) |
14582972 | 20031105 | GC-ITMS determination and degradation of captan during winemaking | Journal of agricultural and food chemistry |
4946 | 19760101 | Policy statement on the changeover to Système International (SI) in Acta anaesthesiological Scandinavica | Acta anaesthesiologica Scandinavica |
Complexity: | 207 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 170.0579088 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 170.0579088 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 74.6Ų |
Undefined Atom Stereocenter Count: | 2 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.4 |
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