CAS No.111-47-7,Propyl sulfide Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	111-47-7
Name:	Propyl sulfide
Article Data:	68

Formula:	C₆H₁₄S
Molecular Weight:	118.243
Synonyms:	Propylsulfide (6CI,8CI);1,1'-Thiobis(propane);4-Thiaheptane;Di-n-propyl sulfide;Di-n-propyl thioether;Dipropyl sulfide;Dipropyl thioether;NSC 78429;Propylmonosulfide;n-Propyl sulfide;
EINECS:	203-873-8
Density:	0.835 g/cm³
Melting Point:	-103 °C
Boiling Point:	144.4 °C at 760 mmHg
Flash Point:	28.3 °C
Solubility:	Soluble in water 351mg/L @ 25°C.
Appearance:	clear colorless liquid
Hazard Symbols:	Xi, F
Risk Codes:	10-36/37/38-36
Safety:	26-36-39-16-7/9
Transport Information:	UN 1993 3/PG 3
PSA:	25.30000
LogP:	2.53960

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Chemistry

Molecule structure of Propane, 1,1'-thiobis- (CAS NO.111-47-7):

IUPAC Name: 1-Propylsulfanylpropane
Molecular Weight: 118.24036 [g/mol]
Molecular Formula: C₆H₁₄S
XLogP3-AA: 2.7
Rotatable Bond Count: 4
Exact Mass: 118.081621
MonoIsotopic Mass: 118.081621
Heavy Atom Count: 7
Index of Refraction: 1.447
Molar Refractivity: 37.84 cm³
Molar Volume: 141.5 cm³
Surface Tension: 26.6 dyne/cm
Density: 0.835 g/cm³
Melting Point: −103 °C(lit.)
Flash Point: 28.3 °C
Enthalpy of Vaporization: 36.6 kJ/mol
Boiling Point: 144.4 °C at 760 mmHg
Vapour Pressure: 6.42 mmHg at 25 °C
Canonical SMILES: CCCSCCC
InChI: InChI=1S/C6H14S/c1-3-5-7-6-4-2/h3-6H2,1-2H3
InChIKey: ZERULLAPCVRMCO-UHFFFAOYSA-N
EINECS: 203-873-8
Product Categories: sulfide Flavor

Uses

Propane, 1,1'-thiobis- (CAS NO.111-47-7) is used in organic synthesis and used as a daily fragrance.

Safety Profile

Hazard Codes: Irritant Xi, F
Risk Statements: 10-36/37/38-36
R10:Flammable.
R36/37/38:Irritating to eyes, respiratory system and skin.
R36:Irritating to eyes.
Safety Statements: 26-36-39-16-7/9
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
S39:Wear eye / face protection.
S16:Keep away from sources of ignition.
S7:Keep container tightly closed.
S9:Keep container in a well-ventilated place.
RIDADR: UN 1993 3/PG 3
WGK Germany: 3
F: 13
Hazard Note: Harmful/Irritant
HazardClass: 3
PackingGroup: III
HS Code: 29309070

Specification

Propane, 1,1'-thiobis- (CAS NO.111-47-7) is also named as 4-Thiaheptane ; 3-18787 ; RIS 3253 ; Di-n-propyl sulfide ; Dipropyl sulfide ; Dipropyl thioether ; NSC 78429 ; Propyl monosulfide ; Dipropyl sulphide ; Propyl sulfide (8CI) . Propane, 1,1'-thiobis- (CAS NO.111-47-7) is clear colorless liquid with bad smell. It is soluble in alcohol and ether, insoluble in water. It is easily oxidized in air. It is flammable.It will produce toxic sulfide gas when buring. So the storage environment should be ventilate, low-temperature and dry. Keep it separate from oxidant.