2, 2, 5, 5- Tetramethyl-1, 3- cyclohexanedione - CAS 702-50-1
Catalog: |
BB075691 |
Product Name: |
2, 2, 5, 5- Tetramethyl-1, 3- cyclohexanedione |
CAS: |
702-50-1 |
Synonyms: |
2,2-Dimethyldimedone; Dimethyl-methone; NSC 116256; NSC 23390 |
IUPAC Name: | 2,2,5,5-tetramethylcyclohexane-1,3-dione |
Description: | 2,тАЛ2,тАЛ5,тАЛ5-тАЛTetramethyl-1,тАЛ3-тАЛcyclohexanedione is an intermediate in synthesizing (+)-cis-Phenothrin (P318100), an isomer of Phenothrin (P318095), which is a pesticide used in the control of pests and insects. |
Molecular Weight: | 168.23 |
Molecular Formula: | C10H16O2 |
Canonical SMILES: | CC1(CC(=O)C(C(=O)C1)(C)C)C |
InChI: | InChI=1S/C10H16O2/c1-9(2)5-7(11)10(3,4)8(12)6-9/h5-6H2,1-4H3 |
InChI Key: | RMYOPLPHLGBSCY-UHFFFAOYSA-N |
Melting Point: | 94 - 96°C |
Solubility: | Chloroform (Slightly), Methanol (Slightly) |
Appearance: | White to Off-White Solid |
Storage: | -20°C |
References: | Wang, Y. et al. Chemopshere, 90, 848 (2013); Hirahara, Y. et al. Japan. J. Toxicol. Env. Health, 44, 451 (1998). |
Complexity: | 214 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 168.115029749 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 168.115029749 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 34.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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