2885-00-9

Name Octadecanethiol
CAS 2885-00-9
EINECS(EC#) 220-744-1
Molecular Formula C18H38S
MDL Number MFCD00004886
Molecular Weight 286.56
MOL File 2885-00-9.mol
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Chemical Properties

Appearance white powder with an extremely unpleasant smell
Melting point  30-33 °C(lit.)
Boiling point  204-210 °C11 mm Hg(lit.)
density  0.847 g/mL at 25 °C(lit.)
vapor pressure  <0.5 hPa (20 °C)
refractive index  n20/D 1.3610
Fp  55 °F
storage temp.  Store below +30°C.
form  Crystalline Solid
pka 10.49±0.10(Predicted)
color  White
Specific Gravity 0.832 (30℃)0.847
Stability: Stability Combustible. Stable. Incompatible with strong oxidizing agents, bases, reducing agents, alkali metals.
Water Solubility  Insoluble
BRN  1811934
Exposure limits NIOSH: Ceiling 0.5 ppm(5.9 mg/m3)
InChI 1S/C18H38S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h19H,2-18H2,1H3
InChIKey QJAOYSPHSNGHNC-UHFFFAOYSA-N
SMILES CCCCCCCCCCCCCCCCCCS
LogP 8 at 20℃
Uses
Organic intermediate, synthetic rubber processing.
CAS DataBase Reference 2885-00-9(CAS DataBase Reference)
NIST Chemistry Reference 1-Octadecanethiol(2885-00-9)
EPA Substance Registry System 2885-00-9(EPA Substance)
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Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)Environment (GHS09)
GHS07,GHS09
Signal word  Warning
Hazard statements  H315-H400
Precautionary statements  P264-P273-P280-P302+P352-P332+P313-P362+P364
Hazard Codes  F,Xi
Risk Statements 
R36/37/38:Irritating to eyes, respiratory system and skin .
Safety Statements 
S7:Keep container tightly closed .
S16:Keep away from sources of ignition-No smoking .
S37/39:Wear suitable gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
OEL Ceiling: 0.5 ppm (5.9 mg/m3) [15-minute]
RIDADR  UN 1170 3/PG 2
WGK Germany  3
Autoignition Temperature >200 °C
TSCA  Yes
REACH Registrations Active
HS Code  29309070
Storage Class 11 - Combustible Solids
Hazard Classifications Aquatic Acute 1
Skin Irrit. 2
Toxicity
LD50 orally in Rabbit: > 5000 mg/kg LD50 dermal Rat > 2000 mg/kg

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