-
Name
3-Mercaptohexyl hexanoate
- EINECS
- CAS No. 136954-22-8
- Density 0.95 g/cm3
- Solubility
- Melting Point
- Formula C12H24 O2 S
- Boiling Point 307.6 °C at 760 mmHg
- Molecular Weight 232.3828
- Flash Point 168.5 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 3THIOHEXYLCAPROATE;3MERCAPTOHEXYLCAPROATE;3MERCAPTOHEXYLHEXANOATE
- PSA 65.10000
- LogP 3.59850
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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