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541-31-1

Name 3-Methyl-1-butanethiol
CAS 541-31-1
EINECS(EC#) 208-774-3
Molecular Formula C5H12S
MDL Number MFCD00004899
Molecular Weight 104.21
MOL File 541-31-1.mol
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Chemical Properties

Appearance clear colorless to slightly yellow liquid
Melting point  -133.51°C
Boiling point  120 °C
density  0.835 g/mL at 25 °C(lit.)
vapor pressure  41.4 mm Hg ( 37.7 °C)
FEMA  3858
refractive index  n20/D 1.4432(lit.)
Fp  65 °F
storage temp.  Flammables area
solubility  soluble in Chloroform
form  Liquid
pka 10.41±0.10(Predicted)
color  Clear colorless to slightly yellow
Odor at 0.10 % in propylene glycol. sulfurous onion green onion garlic
Odor Threshold 0.00000077ppm
Odor Type sulfurous
Sensitive  Air Sensitive
JECFA Number 513
BRN  635659
LogP 2.67
CAS DataBase Reference 541-31-1(CAS DataBase Reference)
NIST Chemistry Reference 1-Butanethiol, 3-methyl-(541-31-1)
EPA Substance Registry System 541-31-1(EPA Substance)
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Safety Data

Hazard Codes  F,Xi,Xn
Risk Statements 
R11:Highly Flammable.
R36/37/38:Irritating to eyes, respiratory system and skin .
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
Safety Statements 
S16:Keep away from sources of ignition-No smoking .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
RIDADR  UN 1228 3/PG 2
WGK Germany  3
TSCA  Yes
HazardClass  3
PackingGroup  II
HS Code  29309090

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