1-Undecanethiol Structure

1-Undecanethiol

Chemical Properties

Melting point -3°C(lit.)
Boiling point 103-104 °C3 mm Hg(lit.)
Density  0.841 g/mL at 25 °C(lit.)
refractive index  n20/D 1.459(lit.)
Flash point 220 °F
Water Solubility  Insoluble in water
form  clear liquid
pka 10.50±0.10(Predicted)
color  Colorless to Almost colorless
Specific Gravity 0.847
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)
FDA UNII YY1144Q77A
EPA Substance Registry System 1-Undecanethiol (5332-52-5)
UNSPSC Code 12352103
NACRES NA.23
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Safety

Symbol(GHS) Exclamation Mark (GHS07)
Signal wordWarning
Hazard statements H315-H319-H335
Precautionary statements P261-P264-P271-P280-P302+P352-P305+P351+P338
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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