Ethyl 4-methyl-2-cyclohexanone-1-carboxylate - CAS 13537-82-1
Catalog: |
BB008152 |
Product Name: |
Ethyl 4-methyl-2-cyclohexanone-1-carboxylate |
CAS: |
13537-82-1 |
Synonyms: |
ethyl 4-methyl-2-oxocyclohexane-1-carboxylate |
IUPAC Name: | ethyl 4-methyl-2-oxocyclohexane-1-carboxylate |
Description: | Ethyl 4-methyl-2-cyclohexanone-1-carboxylate (CAS# 13537-82-1) is a useful chemical reagent in organic synthesis. It is reported that 2-Carbethoxy-5-methylcyclohexanone is used in the synthesis of optically active α-methylene γ-butyrolactones and (+)-mintlactone. |
Molecular Weight: | 184.23 |
Molecular Formula: | C10H16O3 |
Canonical SMILES: | CCOC(=O)C1CCC(CC1=O)C |
InChI: | InChI=1S/C10H16O3/c1-3-13-10(12)8-5-4-7(2)6-9(8)11/h7-8H,3-6H2,1-2H3 |
InChI Key: | FFVHHWOJYFCNJP-UHFFFAOYSA-N |
Boiling Point: | 128-132 °C32 mmHg (lit.) |
Purity: | 95 % |
Density: | 1.045 g/mL at 25°C(lit.) |
Appearance: | Liquid |
MDL: | MFCD00001632 |
LogP: | 1.55480 |
GHS Hazard Statement: | H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin] |
Precautionary Statement: | P261, P272, P273, P280, P302+P352, P321, P333+P313, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
BR-102017026445-A2 | compound, formulation and fragrance product, and methods for enhancing, enhancing or modifying a fragrance formulation and for neutralizing an unpleasant odor in an airspace or substrate | 20161220 |
EP-3339278-A1 | Novel organoleptic compounds | 20161220 |
EP-3339278-B1 | Novel organoleptic compounds | 20161220 |
ES-2743377-T3 | Novel organoleptic compounds | 20161220 |
US-10435645-B2 | Organoleptic compounds | 20161220 |
Complexity: | 210 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 184.109944368 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 184.109944368 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 43.4 Å2 |
Undefined Atom Stereocenter Count: | 2 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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