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Cas Database |
| Name |
3-Mercaptohexyl acetate |
EINECS | 603-987-1 |
| CAS No. | 136954-20-6 | Density | 0.987 g/cm3 |
| PSA | 65.10000 | LogP | 2.03810 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C8H16O2S | Boiling Point | 235.7 °C at 760 mmHg |
| Molecular Weight | 176.28 | Flash Point | 109.8 °C |
| Transport Information | N/A | Appearance | colorless clear liquid |
| Safety | Risk Codes |
 Xi:Irritant; |
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| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
3-Sulfanylhexylacetate;3-mercaptan hexyl acetate; |
Article Data | 3 |
3-Mercaptohexyl acetate Chemical Properties
IUPAC Name: 3-Sulfanylhexyl acetate
Following is the structure of 1-Hexanol, 3-mercapto-,1-acetate (CAS NO.136954-20-6):
Empirical Formula: C8H16O2S
Molecular Weight: 176.2764 g/mol
Index of Refraction: 1.458
Molar Refractivity: 48.74 cm3
Molar Volume: 178.4 cm3
Density: 0.987 g/cm3
Flash Point: 109.8 °C
Surface Tension: 31.9 dyne/cm
Enthalpy of Vaporization: 47.24 kJ/mol
Boiling Point: 235.7 °C at 760 mmHg
Vapour Pressure: 0.0494 mmHg at 25 °C
Product Categories: Aliphatics; ester Flavor
Canonical SMILES: CCCC(CCOC(=O)C)S
InChI: InChI=1S/C8H16O2S/c1-3-4-8(11)5-6-10-7(2)9/h8,11H,3-6H2,1-2H3
InChIKey: JUCARGIKESIVLB-UHFFFAOYSA-N
Classification Code: TSCA Flag P [A commenced PMN (Premanufacture Notice) substance]
3-Mercaptohexyl acetate Safety Profile
Safety Information of 1-Hexanol, 3-mercapto-,1-acetate (CAS NO.136954-20-6):
Hazard Codes: 
Xi
Hazard Note: Irritant
3-Mercaptohexyl acetate Specification
1-Hexanol, 3-mercapto-,1-acetate , its cas register number is 136954-20-6. It also can be called 3-Mercaptohexyl acetate ; and 3-Sulfanylhexyl acetate .
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