3-Methylhexahydrophthalic Anhydride - CAS 57110-29-9
Catalog: |
BB059633 |
Product Name: |
3-Methylhexahydrophthalic Anhydride |
CAS: |
57110-29-9 |
Synonyms: |
3-Methyl-1,2-Cyclohexanedicarboxylic Anhydride; Hexahydro-4-methyl-1,3-isobenzofurandione; 3-Methyl-1,2-cyclohexanedicarboxylic Anhydride; 3-Methylhexahydrophthalic Acid Anhydride; Hexahydro-3-methylphthalic Anhydride; Pentadiene-maleic Anhydride Adduct |
Related CAS: | 53319-73-6
|
IUPAC Name: | 4-methyl-3a,4,5,6,7,7a-hexahydro-2-benzofuran-1,3-dione |
Description: | 3-Methylhexahydrophthalic Anhydride┬аis a useful reagent for the synthesis of┬аgeometrical isomers of 1,2,3-trimethylcyclohexane. It can also be used to prepare┬аhydroxycarbamoyl carboxylic acids for the flotation of diaspore and aluminosilicate minerals |
Molecular Weight: | 168.19 |
Molecular Formula: | C9H12O3 |
Canonical SMILES: | CC1CCCC2C1C(=O)OC2=O |
InChI: | InChI=1S/C9H12O3/c1-5-3-2-4-6-7(5)9(11)12-8(6)10/h5-7H,2-4H2,1H3 |
InChI Key: | QXBYUPMEYVDXIQ-UHFFFAOYSA-N |
Solubility: | Chloroform (Slightly) |
Appearance: | Colourless Oil |
Storage: | 4°C, Hygroscopic |
References: | Bussert, J. F., et al.:В J. Am. Chem. Soc. 78, 6076 (1956); Jiang, Y., et al. Miner Metall Proc 28, 126 (2011). |
GHS Hazard Statement: | H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin] |
Precautionary Statement: | P261, P264+P265, P272, P280, P284, P302+P352, P304+P340, P305+P354+P338, P317, P321, P333+P313, P342+P316, P362+P364, and P501 |
Signal Word: | Danger |
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Complexity: | 234 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 168.078644241 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 168.078644241 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 43.4Ų |
Undefined Atom Stereocenter Count: | 3 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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