4-Methylcyclohexanecarboxylic Acid Methyl Ester - CAS 51181-40-9
Catalog: |
BB056449 |
Product Name: |
4-Methylcyclohexanecarboxylic Acid Methyl Ester |
CAS: |
51181-40-9 |
Synonyms: |
4-Methyl-cyclohexanecarboxylic Acid Methyl Ester; Methyl 4-Methylcyclohexanecarboxylate |
IUPAC Name: | methyl 4-methylcyclohexane-1-carboxylate |
Description: | 4-Methylcyclohexanecarboxylic Acid Methyl Ester is the methyl ester derivative of 4-Methyl-cyclohexanecarboxylic Acid (M299530) and is used as a starting material in many organic reactions. |
Molecular Weight: | 156.22 |
Molecular Formula: | C9H16O2 |
Canonical SMILES: | CC1CCC(CC1)C(=O)OC |
InChI: | InChI=1S/C9H16O2/c1-7-3-5-8(6-4-7)9(10)11-2/h7-8H,3-6H2,1-2H3 |
InChI Key: | QJMSVBUMBNELCF-UHFFFAOYSA-N |
Solubility: | Chloroform (Sparingly), Ethyl Acetate (Slightly), Methanol (Slightly) |
Appearance: | Colourless Oil |
Storage: | 4°C |
References: | Fedyanin, N. P., et al. J. Appl. Chem-USSR+, 51, 375 (1978). |
GHS Hazard Statement: | H226 (100%): Flammable liquid and vapor [Warning Flammable liquids] |
Precautionary Statement: | P210, P233, P240, P241, P242, P243, P264+P265, P280, P303+P361+P353, P305+P351+P338, P337+P317, P370+P378, P403+P235, and P501 |
Signal Word: | Warning |
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Complexity: | 135 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 156.115029749 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 156.115029749 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 26.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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