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Molecule
Succinic Acid Menthol Monoester
CAS: 77341-67-4 · C14H24O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 77341-67-4
- Molecular Formula
- C14H24O4
- Molecular Mass
- 256.34 g/mol
Identifiers
CAS Registry Number
77341-67-4
SMILES
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)CCC(=O)O
InChI Key
BLILOGGUTRWFNI-GRYCIOLGSA-N
InChI
InChI=1S/C14H24O4/c1-9(2)11-5-4-10(3)8-12(11)18-14(17)7-6-13(15)16/h9-12H,4-8H2,1-3H3,(H,15,16)/t10-,11+,12-/m1/s1
Names and Synonyms
- Succinic Acid Menthol Monoester Synonym
- Butanedioic acid, 1-[(1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl] ester Synonym
- Butanedioic acid, mono[5-methyl-2-(1-methylethyl)cyclohexyl] ester, [1R-(1α,2β,5α)]- Synonym
- Butanedioic acid, mono[(1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl] ester Synonym
- 1-[(1R,2S,5R)-5-Methyl-2-(1-methylethyl)cyclohexyl] butanedioate Synonym
- Physcool Synonym
- Succinic acid menthol monoester Synonym
- Physcool N 2188 Synonym
- FEMA 3810 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 256.34 g/mol | CAS Common Chemistry |
| 256.3419999999999 g/mol | RDKit | |
| 256.342 g/mol | RDKit | |
| Canonical SMILES | O=C(O)CCC(=O)OC1CC(C)CCC1C(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C14H24O4/c1-9(2)11-5-4-10(3)8-12(11)18-14(17)7-6-13(15)16/h9-12H,4-8H2,1-3H3,(H,15,16)/t10-,11+,12-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=BLILOGGUTRWFNI-GRYCIOLGSA-N | CAS Common Chemistry |
| Melting Point | 60-62 °C | CAS Common Chemistry |
| Name | Succinic acid menthol monoester | CAS Common Chemistry |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 63.60000000000001 Ų | RDKit |
| 63.6 Ų | RDKit | |
| LogP | 2.855200000000001 | RDKit |
| 2.8552 | RDKit | |
| Molar Refractivity | 68.09280000000005 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8571 | RDKit |
| 0.86 | chempirical lib | |
| Exact Mass | 256.167459248 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 256.34 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C14H24O4.
