3698-89-3

Name Dodecyl methyl sulfide
CAS 3698-89-3
EINECS(EC#) 223-028-7
Molecular Formula C13H28S
MDL Number MFCD00015073
Molecular Weight 216.43
MOL File 3698-89-3.mol
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Chemical Properties

Melting point  -2°C(lit.)
Boiling point  110 °C/0.2 mmHg (lit.)
density  0.816 g/mL at 25 °C(lit.)
refractive index  n20/D 1.4610(lit.)
Fp  >230 °F
storage temp.  2-8°C, stored under nitrogen
form  Liquid
color  Colorless to Almost colorless
Henry's Law Constant 1.8×10-3 mol/(m3Pa) at 25℃, Yaws et al. (2003)
InChI 1S/C13H28S/c1-3-4-5-6-7-8-9-10-11-12-13-14-2/h3-13H2,1-2H3
InChIKey KJWHJDGMOQJLGF-UHFFFAOYSA-N
SMILES CCCCCCCCCCCCSC
LogP 6.582 (est)
CAS DataBase Reference 3698-89-3(CAS DataBase Reference)
NIST Chemistry Reference N-dodecylmethyl sulfide(3698-89-3)
EPA Substance Registry System 3698-89-3(EPA Substance)

Safety Data

RIDADR  UN 3334
WGK Germany  3
TSCA  Yes
REACH Registrations Active
HS Code  29309090
Storage Class 10 - Combustible liquids
Hazard Classifications Aquatic Chronic 4

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