Product Name

  • Name

    Benzene,1,1'-(1,2-ethanediyl)bis[methyl- (9CI)

  • EINECS
  • CAS No. 27755-15-3
  • Density 0.967g/cm3
  • Solubility
  • Melting Point
  • Formula C16H18
  • Boiling Point 274.3°Cat760mmHg
  • Molecular Weight 210.34
  • Flash Point 118.1°C
  • Transport Information
  • Appearance
  • Safety Moderately toxic by ingestion. Questionable carcinogen with experimental tumorigenic data. When heated to decomposition it emits acrid smoke and irritating fumes.
  • Risk Codes
  • Molecular Structure Molecular Structure of 27755-15-3 (Benzene,1,1'-(1,2-ethanediyl)bis[methyl- (9CI))
  • Hazard Symbols
  • Synonyms Bibenzyl,ar,ar'-dimethyl- (7CI,8CI); Ethane, ditolyl- (6CI); 1,2-Bistolylethane;Ditolylethane
  • PSA
  • LogP

Ditolylethane Chemical Properties

Molecule structure of Ditolylethane (CAS NO.27755-15-3):

IUPAC Name: 3-Phenylbutan-2-ylbenzene 
Molecular Weight: 210.31412 g/mol
Molecular Formula: C16H18
Density: 0.967 g/cm3  
Boiling Point: 274.3 °C at 760 mmHg 
Flash Point: 118.1 °C
Index of Refraction: 1.552
Molar Refractivity: 69.56 cm3
Molar Volume: 217.4 cm3
Polarizability: 27.57×10-24 cm3
Surface Tension: 36 dyne/cm 
Enthalpy of Vaporization: 49.21 kJ/mol
Vapour Pressure: 0.00913 mmHg at 25 °C
XLogP3-AA: 4.8
Rotatable Bond Count: 3
Exact Mass: 210.140851
MonoIsotopic Mass: 210.140851
Heavy Atom Count: 16
Complexity: 162
Canonical SMILES: CC(C1=CC=CC=C1)C(C)C2=CC=CC=C2
InChI: InChI=1S/C16H18/c1-13(15-9-5-3-6-10-15)14(2)16-11-7-4-8-12-16/h3-14H,1-2H3
InChIKey of Ditolylethane (CAS NO.27755-15-3): NGCFVIRRWORSML-UHFFFAOYSA-N

Ditolylethane Toxicity Data With Reference

1.    

orl-mus TDLo:9200 mg/kg/73W-C:ETA

     GTPZAB    Gigiena Truda i Professionalnye Zabolevaniia. Labor Hygiene and Occupational Diseases. 15 (5)(1971),49.
2.    

orl-mus LD50:725 mg/kg

     GTPZAB    Gigiena Truda i Professionalnye Zabolevaniia. Labor Hygiene and Occupational Diseases. 15 (5)(1971),49.
3.    

scu-mus LD50:10 g/kg

     GTPZAB    Gigiena Truda i Professionalnye Zabolevaniia. Labor Hygiene and Occupational Diseases. 15 (5)(1971),49.

Ditolylethane Safety Profile

Moderately toxic by ingestion. Questionable carcinogen with experimental tumorigenic data. When heated to decomposition it emits acrid smoke and irritating fumes.

Ditolylethane Specification

 Ditolylethane (CAS NO.27755-15-3) is also named as Ethane, ditolyl- .

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