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| CAS No.: | 625-80-9 |
|---|---|
| Name: | 2,2'-Thiobispropane |
| Article Data: | 30 |
| Molecular Structure: | |
|
|
|
| Formula: | C6H14 S |
| Molecular Weight: | 118.243 |
| Synonyms: | Isopropylsulfide (6CI,8CI); 2,2'-Thiobispropane; 2,4-Dimethyl-3-thiapentane; Diisopropylsulfide; NSC 75121 |
| EINECS: | 210-911-7 |
| Density: | 0.814 |
| Melting Point: | -106 C |
| Boiling Point: | 120 ºC (763 mmHg) |
| Flash Point: | 7 ºC |
| Solubility: | Not miscible or difficult to mix with water. |
| Appearance: | liquid with a penetrating and very unpleasant odour |
| Hazard Symbols: |
 
|
| Risk Codes: | R11;R36/37/38 |
| Safety: | S16;S26;S37/39 |
| Transport Information: | UN 1993 |
| PSA: | 25.30000 |
| LogP: | 2.53640 |
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Chemistry
Molecule structure of Propane, 2,2'-thiobis- (CAS NO.35050-55-6):
IUPAC Name: 2-Propan-2-ylsulfanylpropane
Molecular Weight: 118.24036 [g/mol]
Molecular Formula: C6H14S
XLogP3: 2.8
Rotatable Bond Count: 2
Exact Mass: 118.081621
MonoIsotopic Mass: 118.081621
Heavy Atom Count: 7
Index of Refraction: 1.443
Molar Refractivity: 37.76 cm3
Molar Volume: 142.2 cm3
Surface Tension: 24.4 dyne/cm
Density: 0.83 g/cm3
Flash Point: 7.2 °C
Enthalpy of Vaporization: 33.8 kJ/mol
Boiling Point: 120 °C at 760 mmHg
Vapour Pressure: 18.6 mmHg at 25 °C
Storage Temp.: flammables area
Canonical SMILES: CC(C)SC(C)C
InChI: InChI=1S/C6H14S/c1-5(2)7-6(3)4/h5-6H,1-4H3
InChIKey: XYWDPYKBIRQXQS-UHFFFAOYSA-N
Stability: sable. hghly flammable. icompatible with strong oxidizing agents, strong bases, strong reducing agents.
EINECS: 210-911-7
Product Categories: sulfide Flavor
Safety Profile
Hazard Codes: 
F, 
Xi
Risk Statements: 11-36/37/38
R11:Highly flammable.
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 16-26-36/37/39-37/39
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.
S37/39:Wear suitable gloves and eye/face protection.
RIDADR: UN 1993 3/PG 2
WGK Germany: 3
HazardClass: 3
PackingGroup: II
Specification
Propane, 2,2'-thiobis- (CAS NO.35050-55-6) is also named as 2,4-Dimethyl-3-thiapentane ; Diisopropyl sulfide ; Diisopropyl sulphide ; Isopropyl sulphide ; NSC 75121 ; Isopropyl sulfide (8CI) ; 2-(Isopropylsulfanyl)propane ; 2-(Propan-2-ylsulfanyl)propan . Propane, 2,2'-thiobis- (CAS NO.35050-55-6) is liquid with a penetrating and very unpleasant odour.