benzylsulfide

Names

[ CAS No. ]:
538-74-9

[ Name ]:
benzylsulfide

[Synonym ]:
1,1'-[thiobis(methylene)]dibenzene
Benzyl sulfide (8CI)
benzylsulfanylmethylbenzene
1,1'-(sulfanediyldimethanediyl)dibenzene
Benzene, 1,1'-[thiobis(methylene)]bis-
EINECS 208-703-6
Dibenzyl sulfide
Dibenzyl sulphide
BENZYL SULFIDE
((Benzylthio)methyl)benzene
Dibenzylsulfide
1,1'-[Thiobis(methylene)]bisbenzene
1,1'-[Sulfanediylbis(methylene)]dibenzene
benzylsulfide
MFCD00004784

Chemical & Physical Properties

[ Density]:
1.1±0.1 g/cm3

[ Boiling Point ]:
322.8±11.0 °C at 760 mmHg

[ Melting Point ]:
44-47 °C(lit.)

[ Molecular Formula ]:
C₁₄H₁₄S

[ Molecular Weight ]:
214.326

[ Flash Point ]:
142.5±15.9 °C

[ Exact Mass ]:
214.081619

[ PSA ]:
25.30000

[ LogP ]:
4.19

[ Vapour Pressure ]:
0.0±0.7 mmHg at 25°C

[ Index of Refraction ]:
1.610

[ Stability ]:
Stable. Combustible. Incompatible with strong oxidizing agents.

[ Water Solubility ]:
<0.1 g/100 mL at 21 ºC

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: DC0512500

CHEMICAL NAME :: Benzene, 1,1'-(thiobis(methylene))bis-

CAS REGISTRY NUMBER :: 538-74-9

LAST UPDATED :: 199709

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C14-H14-S

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: >2 gm/kg

TOXIC EFFECTS :: Skin and Appendages - hair

REFERENCE :: ATDAEI Acute Toxicity Data. Journal of the American College of Toxicology, Part B. (Mary Ann Liebert, Inc., 1651 Third Ave., New York, NY 10128) V.1- 1990- Volume(issue)/page/year: 15(Suppl 1),S89,1996

Safety Information

[ Personal Protective Equipment ]:
Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter

[ Hazard Codes ]:
Xn

[ Safety Phrases ]:
S22-S24/25

[ RIDADR ]:
UN 3335

[ WGK Germany ]:
2

[ RTECS ]:
DC0512500

[ HS Code ]:
2930909090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

DownStream

Customs

[ HS Code ]: 2930909090

[ Summary ]:
2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

Articles

Singlet oxygen promoted carbon-heteroatom bond cleavage in dibenzyl sulfides and tertiary dibenzylamines. Structural effects and the role of exciplexes.

J. Org. Chem. 72(25) , 9582-9, (2007)

The C-heteroatom cleavage reactions of substituted dibenzyl sulfides and substituted dibenzylcyclohexylamines promoted by singlet oxygen in MeCN have been investigated. In both systems, the cleavage r...

Functional groups and sulfur K-edge XANES spectra: divalent sulfur and disulfides.

J. Phys. Chem. A 114(35) , 9523-8, (2010)

Sulfur K-edge XANES was measured for two divalent sulfurs (dibenzyl and benzyl phenyl) and two disulfides (dibenzyl and diphenyl). The absorption spectra could be assigned using density functional the...

Dibenzyl sulfide metabolism by white rot fungi.

Appl. Environ. Microbiol. 69(2) , 1320-4, (2003)

Microbial metabolism of organosulfur compounds is of interest in the petroleum industry for in-field viscosity reduction and desulfurization. Here, dibenzyl sulfide (DBS) metabolism in white rot fungi...