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1-Undecanethiol Structure

1-Undecanethiol

  • Product Name1-Undecanethiol
  • CAS5332-52-5
  • CBNumberCB4134837
  • MFC11H24S
  • MW188.37
  • MDL NumberMFCD00022097
  • MOL File5332-52-5.mol

Chemical Properties

Melting point: -3 °C
Boiling point: 104 °C/3 mmHg
Density  0.85
refractive index  1.46
Flash point: 109 °C
Water Solubility  Insoluble in water
pka 10.50±0.10(Predicted)
form  clear liquid
color  Colorless to Almost colorless
Specific Gravity 0.847
Odor Foul odor
Henry's Law Constant 4.9×10-4 mol/(m3Pa) at 25℃, Yaws et al. (2003)
Stability: Stable. Incompatible with strong oxidizing agents.
InChI 1S/C11H24S/c1-2-3-4-5-6-7-8-9-10-11-12/h12H,2-11H2,1H3
InChIKey CCIDWXHLGNEQSL-UHFFFAOYSA-N
SMILES CCCCCCCCCCCS
LogP 6.027 (est)
CAS DataBase Reference 5332-52-5(CAS DataBase Reference)
EPA Substance Registry System 1-Undecanethiol (5332-52-5)
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Safety

Symbol(GHS)  Exclamation Mark (GHS07)
Signal word  Warning
Hazard statements  H315-H319-H335
Precautionary statements  P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs Respiratory system
PPE Eyeshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes  Xi
Risk Statements  36/37/38
Safety Statements  26-36/37/39
OEL Ceiling: 0.5 ppm (3.9 mg/m3) [15-minute]
RIDADR  UN 1228 3/PG 3
WGK Germany  3
HS Code  2930.90.9250
Storage Class 10 - Combustible liquids
Hazard Classifications Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
NFPA 704:
1
0 0

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