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(-)-Menthyl Glyoxylate
CAS: 26315-61-7 | C12H20O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
26315-61-7
Molecular Formula:
C12H20O3
Molecular Mass:
212.29 g/mol
Names and Synonyms:
(-)-Menthyl Glyoxylate
Acetic acid, 2-oxo-, (1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl ester
Acetic acid, oxo-, 5-methyl-2-(1-methylethyl)cyclohexyl ester, [1R-(1α,2β,5α)]-
Glyoxylic acid, p-menth-3-yl ester, (1R,3R,4S)-(-)-
Acetic acid, oxo-, (1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl ester
(R)-(-)-Menthyl glyoxylate
(-)-Menthyl glyoxylate
l-Menthyl glyoxylate
(-)-Menthyl glyoxalate
l-(-)-Menthyl glyoxylate
(1R,2S,5R)-Menthyl glyoxylate
(1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl 2-oxoacetate
Identifiers:
SMILES:
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)C=O
InChI:
InChI=1S/C12H20O3/c1-8(2)10-5-4-9(3)6-11(10)15-12(14)7-13/h7-11H,4-6H2,1-3H3/t9-,10+,11-/m1/s1
Key Properties
Boiling Point
160 °C @ Press: 1 x 10-4 Torr
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 212.29 g/mol | CAS Common Chemistry |
| 212.289 g/mol | RDKit | |
| 212.1412445 g/mol | RDKit | |
| Boiling Point | 160 °C @ Press: 1 x 10-4 Torr | CAS Common Chemistry |
| Canonical SMILES | O=CC(=O)OC1CC(C)CCC1C(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C12H20O3/c1-8(2)10-5-4-9(3)6-11(10)15-12(14)7-13/h7-11H,4-6H2,1-3H3/t9-,10+,11-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=YNUVAJRGRQBLLB-OUAUKWLOSA-N | CAS Common Chemistry |
| Name | (-)-Menthyl glyoxylate | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 43.370000000000005 Ų | RDKit |
| LogP | 2.1893000000000002 | RDKit |
| Molar Refractivity | 57.28700000000004 | RDKit |
