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100-53-8

Name Benzyl mercaptan
CAS 100-53-8
EINECS(EC#) 202-862-5
Molecular Formula C7H8S
MDL Number MFCD00004867
Molecular Weight 124.2
MOL File 100-53-8.mol
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Chemical Properties

Appearance Cream to white, moist crystals; musty odor. Insoluble in water; soluble in alcohol or ether. There are three isomers with different boiling points.
Melting point  -29 °C
Boiling point  194-195 °C (lit.)
density  1.058 g/mL at 25 °C(lit.)
vapor density  >4 (vs air)
FEMA  2147
refractive index  n20/D 1.575(lit.)
Fp  158 °F
storage temp.  2-8°C
solubility  Chloroform (Slightly), Methanol (Slightly)
form  Liquid
pka 9.43(at 25℃)
color  Clear colorless to light yellow
Odor at 0.10 % in propylene glycol. sharp alliaceous onion sulfurous garlic horseradish mint coffee
Stability: Stable. Combustible.
explosive limit 1%(V)
Odor Type alliaceous
Water Solubility  Not miscible or difficult to mix in water.
Sensitive  Air Sensitive
JECFA Number 526
Merck  14,9322
BRN  605864
InChIKey UENWRTRMUIOCKN-UHFFFAOYSA-N
LogP 2.48
Uses
Intermediate, bacteriostat.
CAS DataBase Reference 100-53-8(CAS DataBase Reference)
NIST Chemistry Reference Benzenemethanethiol(100-53-8)
EPA Substance Registry System 100-53-8(EPA Substance)
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Safety Data

Hazard Codes  T,N
Risk Statements 
R22:Harmful if swallowed.
R23:Toxic by inhalation.
R50/53:Very Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
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 .
S60:This material and/or its container must be disposed of as hazardous waste .
RIDADR  2810
WGK Germany  3
RTECS  XT8650000
F  10-13-23
Hazard Note  Harmful/Lachrymator
TSCA  Yes
HazardClass  6.1
PackingGroup  III
HS Code  29309090
Safety Profile
Poison by inhalation and intraperitoneal routes. Moderately toxic by ingestion. An eye irritant. Questionable carcinogen with experimental tumorigenic data. Flammable when exposed to heat or flame. Can react vigorously with oxidizing materials. To fight fire, use foam, CO2, dry chemical, water spray, mist, fog. When heated to decomposition and on contact with acid or acid fumes it emits highly toxic fumes of SOx. See also SULFIDES and MERCAPTANS.
Hazardous Substances Data 100-53-8(Hazardous Substances Data)

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