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| Name |
3-Mercaptohexyl hexanoate |
EINECS | N/A |
| CAS No. | 136954-22-8 | Density | 0.95 g/cm3 |
| PSA | 65.10000 | LogP | 3.59850 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C12H24 O2 S | Boiling Point | 307.6 °C at 760 mmHg |
| Molecular Weight | 232.3828 | Flash Point | 168.5 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
3THIOHEXYLCAPROATE;3MERCAPTOHEXYLCAPROATE;3MERCAPTOHEXYLHEXANOATE |
3-Mercaptohexyl hexanoate Chemical Properties
Molecular structure of 3-Mercaptohexyl hexanoate (CAS NO.136954-22-8) is:
Product Name: 3-Mercaptohexyl hexanoate
CAS Registry Number: 136954-22-8
IUPAC Name: 3-Sulfanylhexyl hexanoate
Molecular Weight: 232.38276 [g/mol]
Molecular Formula: C12H24O2S
XLogP3-AA: 4
H-Bond Donor: 0
H-Bond Acceptor: 2
Index of Refraction: 1.462
Molar Refractivity: 67.27 cm3
Molar Volume: 244.5 cm3
Surface Tension: 32.4 dyne/cm
Density: 0.95 g/cm3
Flash Point: 168.5 °C
Enthalpy of Vaporization: 54.82 kJ/mol
Boiling Point: 307.6 °C at 760 mmHg
Vapour Pressure: 0.000716 mmHg at 25 °C
Product Categories: ester Flavor
Canonical SMILES: CCCCCC(=O)OCCC(CCC)S
InChI: InChI=1S/C12H24O2S/c1-3-5-6-8-12(13)14-10-9-11(15)7-4-2/h11,15H,3-10H2,1-2H3
InChIKey: KVXKOWZLYWBURN-UHFFFAOYSA-N
3-Mercaptohexyl hexanoate Specification
3-Mercaptohexyl hexanoate , its cas register number is 136954-22-8. It also can be called Hexanoic acid,3-mercaptohexyl ester .
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