Allyl mercaptan Structure

Allyl mercaptan

Chemical Properties

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 | ALLYL MERCAPTAN
refractive index  n20/D 1.4765(lit.)
FLAVIS Number 12.004 | Allylthiol
Flash point 18 °C
storage temp.  -20°C
solubility  Not miscible or difficult to mix.
pka 9.83±0.10(Predicted)
form  Liquid
color  Clear colorless to light yellow
Odor at 0.10 % in propylene glycol. alliaceous sulfurous garlic onion roasted
Odor Type sulfurous
biological source synthetic
Sensitive  Air Sensitive
JECFA Number 521
BRN  1697523
Henry's Law Constant 1.2×10-2 mol/(m3Pa) at 25℃, Hilal et al. (2008)
Stability Stable, but highly flammable. Incompatible with strong bases, strong oxidizing agents, reactive metals.
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
CAS DataBase Reference 870-23-5(CAS DataBase Reference)
Substances Added to Food (formerly EAFUS) ALLYL MERCAPTAN
FDA UNII 1X587IBY09
NIST Chemistry Reference Allyl mercaptan(870-23-5)
EPA Substance Registry System 2-Propene-1-thiol (870-23-5)
UNSPSC Code 12352100
NACRES NA.22

Safety

Symbol(GHS) Flame (GHS02)Exclamation Mark (GHS07)
Signal wordDanger
Hazard statements H302+H312+H332-H315-H319-H336-H225
Precautionary statements P501-P270-P240-P261-P210-P233-P243-P241-P242-P271-P264-P280-P370+P378-P337+P313-P305+P351+P338-P362+P364-P303+P361+P353-P332+P313-P301+P312+P330-P304+P340+P312-P403+P233-P403+P235-P405
Hazard Codes  F
Risk Statements  11
Safety Statements  16-33-9
RIDADR  UN 1228 3/PG 2
WGK Germany  3
F  10-13-23
TSCA  TSCA listed
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
NFPA 704:
3
2 0

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