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Cas Database |
| Name |
(1R,2S,5R)-(-)-Menthyl (S)-p-Toluenesulfinate |
EINECS | N/A |
| CAS No. | 1517-82-4 | Density | 1.09 g/cm3 |
| PSA | 45.51000 | LogP | 5.36070 |
| Solubility | N/A | Melting Point |
99-104 °C |
| Formula | C17H26O2S | Boiling Point | 402.342 °C at 760 mmHg |
| Molecular Weight | 294.458 | Flash Point | 197.13 °C |
| Transport Information | N/A | Appearance | White crystalline powder |
| Safety | 22-24/25 | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
p-Toluenesulfinic acid, (S)-,(1R,3R,4S)-p-menth-3-yl ester, (-)- (8CI);benzenesulfinic acid, 4-methyl-, (1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl ester; |
Article Data | 43 |
(1R,2S,5R)-(-)-Menthyl (S)-p-Toluenesulfinate Chemical Properties
Molecular Structure of (1R,2S,5R)-(-)-Menthyl (S)-p-toluenesulfinate (1517-82-4):
IUPAC Name: (5-Methyl-2-propan-2-ylcyclohexyl) 4-methylbenzenesulfinate
Molecular Formula:C17H26O2S
Molecular Weight: 294.45214 g/mol
XLogP3-AA: 5.3
H-Bond Donor: 0
H-Bond Acceptor: 2
Canonical SMILES: CC1CCC(C(C1)OS(=O)C2=CC=C(C=C2)C)C(C)C
InChI: InChI=1S/C17H26O2S/c1-12(2)16-10-7-14(4)11-17(16)19-20(18)15-8-5-13(3)6-9-15/h5-6,8-9,12,14,16-17H,7,10-11H2,1-4H3
InChIKey: NQICGNSARVCSGJ-UHFFFAOYSA-N
Index of Refraction: 1.55
Molar Refractivity: 86.16 cm3
Molar Volume: 270.2 cm3
Surface Tension: 44.5 dyne/cm
Density: 1.08 g/cm3
Flash Point: 197.1 °C
Melting Point: 99-104 °C
Boiling Point: 402.3 °C at 760 mmHg
Enthalpy of Vaporization: 62.8 kJ/mol
Vapour Pressure: 2.57E-06 mmHg at 25 °C
Water Solubility: 0.3269 mg/L at 25 °C
Refractive Index: -199 ° (C=1.5, Acetone )
storage temp.: -20 °C
(1R,2S,5R)-(-)-Menthyl (S)-p-Toluenesulfinate Safety Profile
Safety Information of (1R,2S,5R)-(-)-Menthyl (S)-p-toluenesulfinate (1517-82-4):
Safety Statements: 22-24/25
22: Do not breathe dust
24/25: Avoid contact with skin and eyes
WGK Germany: 3
(1R,2S,5R)-(-)-Menthyl (S)-p-Toluenesulfinate Specification
(1R,2S,5R)-(-)-Menthyl (S)-p-toluenesulfinate (1517-82-4) is white crystalline powder with some synonyms such as (1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl 4-methylbenzenesulfinate ; (-)-(1R)-Menthyl (S)-toluene-4-sulfinate ; (1R,2S,5R)-Menthyl (S)-p-toluenesulfinate ; (S)-(-)-Menthyl p-toluenesulfinate ; (S)-(-)-p-Toluenesulfinic acid l-menthyl ester ; (S)-(-)-Menthyl p-toluenesulfinate, (-)-(1R)-menthyl (S)-p-toluenesulfinate .
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