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| CAS No.: | 538-74-9 |
|---|---|
| Name: | Dibenzyl sulphide |
| Article Data: | 328 |
| Molecular Structure: | |
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| Formula: | C14H14S |
| Molecular Weight: | 214.331 |
| Synonyms: | Benzylsulfide (8CI);((Benzylthio)methyl)benzene;1,1'-[Thiobis(methylene)]bis[benzene];Benzyl monosulfide;Benzyl phenylmethylsulfide;Benzyl thioether;Dibenzyl monosulfide;Dibenzyl sulfide;Dibenzylthioether;NSC 212544;NSC 6648; |
| EINECS: | 208-703-6 |
| Density: | 1.088 g/cm3 |
| Melting Point: | 44-47 °C(lit.) |
| Boiling Point: | 322.8 °C at 760 mmHg |
| Flash Point: | 142.5 °C |
| Solubility: | <0.1 g/100 mL at 21 °C in water |
| Appearance: | beige crystals or powder with an unpleasant smell |
| Safety: | 22-24/25 |
| PSA: | 25.30000 |
| LogP: | 4.12000 |
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Chemistry
Molecular Structure of BENZYL MONOSULFIDE (538-74-9):
EINECS: 208-703-6
IUPAC Name: benzylsulfanylmethylbenzene
Molecular Formula: C14H14S
Molecular Weight: 214.325960 g/mol
Appearance:stench white crystals
SMILES: C1=CC=C(C=C1)CSCC2=CC=CC=C2
InChI: InChI=1S/C14H14S/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14/h1-10H,11-12H2
InChIKey: LUFPJJNWMYZRQE-UHFFFAOYSA-N
H bond acceptors: 0
H bond donors: 0
Freely Rotating Bonds: 4
Index of Refraction: 1.61
Molar Refractivity: 68.28 cm3
Molar Volume: 196.9 cm3
Surface Tension: 43.8 dyne/cm
Density: 1.088 g/cm3
Melting Point: 44-47 °C(lit.)
Flash Point: 142.5 °C
Boiling Point: 322.8 °C at 760 mmHg
Enthalpy of Vaporization: 54.22 kJ/mol
Vapour Pressure: 0.000516 mmHg at 25 °C
Water Solubility:7.327 mg/L at 25 °C
BRN: 1911157
Toxicity Data With Reference
| 1. | orl-rat LD50:>2 g/kg | ATDAEI Acute Toxicity Data. Journal of the American College of Toxicology, Part B. 15 (Suppl 1),(1996),S89. |
Safety Profile
The safety information of BENZYL MONOSULFIDE (538-74-9):
Safety Statements: 22-24/25
22: Harmful if swallowed
24/25: Avoid contact with skin and eyes
WGK Germany: 2
RTECS: DC0512500
F: 13
Moderately toxic by ingestion. When heated to decomposition it emits toxic vapors of SOx.
Specification
BENZYL MONOSULFIDE (538-74-9) is a kind of sulfide flavor. In many cases, BENZYL MONOSULFIDE (538-74-9) is also called [(Benzylsulfanyl)methyl]benzene ; 1,1’-(thiobis(methylene))bis-benzen ; 1,1’-(thiobis(methylene))bisbenzene ; 1,1’-[thiobis(methylene)]bis-benzen ; 1,1’-thiobis(methylene)bis-Benzene ; 1,3-Diphenyl-2-thiapropane ; Benzyl monosulfide ; Benzyl thioether , etc. When you use this product, make sure it is stored in a cool, dry place and stored in a tightly closed container. It is incompatible with strong oxidizing agents.