542-85-8

Name Ethyl isothiocyanate
CAS 542-85-8
EINECS(EC#) 208-831-2
Molecular Formula C3H5NS
MDL Number MFCD00004820
Molecular Weight 87.14
MOL File 542-85-8.mol
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Chemical Properties

Appearance CLEAR COLOURLESS TO VERY SLIGHTLY YELLOW LIQUID
Melting point  -6 °C
Boiling point  130-132 °C(lit.)
density  0.995 g/mL at 25 °C(lit.)
vapor pressure  15.199hPa at 25℃
FEMA  4420 | ETHYL ISOTHIOCYANATE
refractive index  n20/D 1.512(lit.)
Fp  90 °F
storage temp.  Flammables area
solubility  Chloroform (Sparingly), Ethyl Acetate (Soluble)
form  Liquid
color  Clear colorless to slightly yellow
Specific Gravity 0.995
Odor at 0.01 % in propylene glycol. pungent mustard garlic
PH 6.3 (H2O, 20℃)
biological source synthetic
Odor Type pungent
Water Solubility  Reacts with water. Soluble in chlorinated and aromatic hydrocarbons. Miscible in ethanol and ether.
Sensitive  Moisture Sensitive
JECFA Number 1885
Merck  14,3815
BRN  1737705
Dielectric constant 19.7（20℃）
Stability: Air Sensitive, Hygroscopic, Moisture Sensitive, Volatile
InChI 1S/C3H5NS/c1-2-4-3-5/h2H2,1H3
InChIKey HBNYJWAFDZLWRS-UHFFFAOYSA-N
SMILES CCN=C=S
LogP 1.47 at 25℃ and pH7
CAS DataBase Reference 542-85-8(CAS DataBase Reference)
EPA Substance Registry System Ethane, isothiocyanato- (542-85-8)
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Safety Data

Symbol(GHS)  Flame (GHS02)Corrosion (GHS05)Skull and Crossbones (GHS06)Health Hazard (GHS08)Environment (GHS09)
GHS02,GHS05,GHS06,GHS08,GHS09
Signal word  Danger
Hazard statements  H226-H301+H311+H331-H314-H334-H400
Precautionary statements  P210-P273-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338
Hazard Codes  T,N,F
Risk Statements 
R10:Flammable.
R23/24/25:Toxic by inhalation, in contact with skin and if swallowed .
R34:Causes burns.
R42/43:May cause sensitization by inhalation and skin contact .
R50:Very Toxic to aquatic organisms.
R36/37:Irritating to eyes and respiratory system .
Safety Statements 
S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
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 .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
S16:Keep away from sources of ignition-No smoking .
S7/9:Keep container tightly closed and in a well-ventilated place .
RIDADR  UN 3286 3/PG 2
WGK Germany  3
RTECS  NX8590000
TSCA  Yes
REACH Registrations Active
HazardClass  6.1
PackingGroup  II
HS Code  29309090
Storage Class 3 - Flammable liquids
Hazard Classifications Acute Tox. 3 Dermal
Acute Tox. 3 Inhalation
Acute Tox. 3 Oral
Aquatic Acute 1
Flam. Liq. 3
Resp. Sens. 1
Skin Corr. 1B

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