870-23-5

Name Allyl mercaptan
CAS 870-23-5
EINECS(EC#) 212-792-7
Molecular Formula C3H6S
MDL Number MFCD00004894
Molecular Weight 74.14
MOL File 870-23-5.mol
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Chemical Properties

Appearance colourless to faintly yellow-brown liquid
Melting point  175-176 °C(Solv: benzene (71-43-2))
Boiling point  67-68 °C (lit.)
density  0.898 g/mL at 25 °C(lit.)
FEMA  2035
refractive index  n20/D 1.4765(lit.)
Fp  18 °C
storage temp.  −20°C
solubility  Not miscible or difficult to mix.
form  Liquid
pka 9.83±0.10(Predicted)
color  Clear colorless to light yellow
Odor at 0.10 % in propylene glycol. alliaceous sulfurous garlic onion roasted
Stability: Stable, but highly flammable. Incompatible with strong bases, strong oxidizing agents, reactive metals.
biological source synthetic
Odor Type sulfurous
Sensitive  Air Sensitive
JECFA Number 521
BRN  1697523
Major Application flavors and fragrances
InChI 1S/C3H6S/c1-2-3-4/h2,4H,1,3H2
InChIKey ULIKDJVNUXNQHS-UHFFFAOYSA-N
SMILES SCC=C
LogP 1.51
Uses
Allyl Mercaptan is a synthetic flavoring agent that is a stable, color- less liquid of garlic-like odor. it should be stored in glass or tin con- tainers. it is used in artificial garlic flavors for application in condiments at 3 ppm, and in baked goods at 2 ppm. it is also termed 2 propylene-1 thiol.
CAS DataBase Reference 870-23-5(CAS DataBase Reference)
NIST Chemistry Reference Allyl mercaptan(870-23-5)
EPA Substance Registry System 2-Propene-1-thiol (870-23-5)
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Safety Data

Hazard Codes  F
Risk Statements 
R11:Highly Flammable.
Safety Statements 
S16:Keep away from sources of ignition-No smoking .
S33:Take precautionary measures against static discharges .
S9:Keep container in a well-ventilated place .
RIDADR  UN 1228 3/PG 2
WGK Germany  3
F  10-13-23
TSCA  Yes
HazardClass  3
PackingGroup  II
HS Code  29309090
Storage Class 3 - Flammable liquids
Hazard Classifications Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Eye Irrit. 2
Flam. Liq. 2
Safety Profile
Poison by inhalation and ingestion. Strong irritant to skin and mucous membranes. When heated to decomposition it emits highly toxic fumes of SO,. Very dangerous fire hazard. To fight fire, use water mist or spray, alcohol foam, Con, or dry chemical. See also ALLYL COMPOUNDS and MERCAPTANS

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Material Safety Data Sheet(MSDS)

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