Product Name

  • Name

    Dihydro-2-methyl-3(2H)-thiophenone

  • EINECS 237-183-3
  • CAS No. 13679-85-1
  • Article Data8
  • CAS DataBase
  • Density 1.109 g/cm3
  • Solubility
  • Melting Point
  • Formula C5H8OS
  • Boiling Point 180 °C at 760 mmHg
  • Molecular Weight 116.184
  • Flash Point 72.1 °C
  • Transport Information
  • Appearance
  • Safety 26-36/37/39
  • Risk Codes 36/37/38
  • Molecular Structure Molecular Structure of 13679-85-1 (Dihydro-2-methyl-3(2H)-thiophenone)
  • Hazard Symbols IrritantXi
  • Synonyms 2-Methyl-3-oxotetrahydrothiophene;2-Methyl-4,5-dihydro-3(2H)-thiophenone;2-Methylthiolan-3-one;2-Methylthiophan-3-one;Dihydro-2-methyl-3(2H)-thiophenone;Dihydro-2-methyl-3-thiophenone;
  • PSA 42.37000
  • LogP 1.08090

2-Methyltetrahydrothiophen-3-one Chemical Properties

Molecular Structure of 2-Methyltetrahydrothiophen-3-one (CAS NO.13679-85-1):

IUPAC Name: 2-Methylthiolan-3-one 
Molecular Formula: C5H8OS
Molecular Weight: 116.18
XLogP3-AA: 0.8
H-Bond Donor: 0
H-Bond Acceptor: 1 
EINECS: 237-183-3 
Index of Refraction: 1.512
Molar Refractivity: 31.44 cm3
Molar Volume: 104.6 cm3
Surface Tension: 35.8 dyne/cm
Boiling Point: 180 °C at 760 mmHg
Density: 1.109 g/cm3
Flash Point: 72.1 °C
Enthalpy of Vaporization: 41.62 kJ/mol
Vapour Pressure: 0.917 mmHg at 25 °C
Canonical SMILES: CC1C(=O)CCS1
InChI: InChI=1S/C5H8OS/c1-4-5(6)2-3-7-4/h4H,2-3H2,1H3
InChIKey: YMZZPMVKABUEBL-UHFFFAOYSA-N
Product Categories: API intermediates; thiophene Flavor; Alphabetical Listings; Flavors and Fragrances; M-N; Sulfides flavors

2-Methyltetrahydrothiophen-3-one Uses

 2-Methyltetrahydrothiophen-3-one (CAS NO.13679-85-1) can be used for laboratory reagent and organic intermediate.

2-Methyltetrahydrothiophen-3-one Safety Profile

Safety Information of 2-Methyltetrahydrothiophen-3-one (CAS NO.13679-85-1):
Hazard Codes: IrritantXi
Risk Statements: 36/37/38 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36/37/39 
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.
WGK Germany: 3

2-Methyltetrahydrothiophen-3-one Specification

 2-Methyltetrahydrothiophen-3-one (CAS NO.13679-85-1), its Synonyms are 2-Methyl-3-oxotetrahydrothiophene ; 2-Methyl-4,5-dihydro-3(2H)-thiophenone ; 2-Methylthiolan-3-one ; 3(2H)-Thiophenone, dihydro-2-methyl- ; Dihydro-2-methyl-3(2H)-thiophenone ; Dihydro-2-methyl-3-thiophenone .

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