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Name |
3-Mercapto-2-pentanone |
EINECS | 266-799-5 |
CAS No. | 67633-97-0 | Density | 0.964 g/cm3 |
PSA | 55.87000 | LogP | 1.28380 |
Solubility | N/A | Melting Point |
N/A |
Formula | C5H10OS | Boiling Point | 157.5 °C at 760 mmHg |
Molecular Weight | 118.2 | Flash Point | 49.1 °C |
Transport Information | N/A | Appearance | Colorless liquid |
Safety | 16-26-36/37/39 | Risk Codes | 10-36/37/38 |
Molecular Structure | Hazard Symbols | Xn | |
Synonyms |
3-Mercapto-2-pentanone; |
Article Data | 5 |
Molecular Formula: C5H10OS
Molecular Weight: 118.2g/mol
Mol File: 67633-97-0.mol
EINECS: 266-799-5
Boiling point: 157.5 °C at 760 mmHg
Flash Point: 49.1 °C
Density: 0.964 g/cm3
Surface Tension: 29.3 dyne/cm
Enthalpy of Vaporization: 39.42 kJ/mol
Vapour Pressure: 2.74 mmHg at 25 °C
XLogP3-AA: 1.2
H-Bond Donor: 0
H-Bond Acceptor: 1
Structure Descriptors of 2-Pentanone,3-mercapto- (CAS NO.67633-97-0):
IUPAC Name: (3R)-3-Sulfanylpentan-2-one
Canonical SMILES: CCC(C(=O)C)S
Isomeric SMILES: CC[C@H](C(=O)C)S
InChI: InChI=1S/C5H10OS/c1-3-5(7)4(2)6/h5,7H,3H2,1-2H3/t5-/m1/s1
InChIKey: SZECUQRKLXRGSJ-RXMQYKEDSA-N
Product Categories: Pharmaceutical Raw Materials; ACETYLGROUP; thiol Flavor
Safety Information of 2-Pentanone,3-mercapto- (CAS NO.67633-97-0):
Risk Statements: 10-36/37/38
R10:Flammable.
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 16-26-36/37/39
S16:Keep away from sources of ignition.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
RIDADR: 1224
HazardClass: 3
PackingGroup: III
2-Pentanone,3-mercapto- , its CAS NO. is 67633-97-0, the synonyms are 3-Mercapto-2-pentanone ; 3-Mercaptopentan-2-one ; 2-Pentanone, 3-mercapto- (7CI,9CI) .