2-Methyl-3-furanthiol Structure

2-Methyl-3-furanthiol

Chemical Properties

Boiling point 57-60 °C/44 mmHg (lit.)
Density  1.145 g/mL at 25 °C
vapor density  >1 (vs air)
refractive index  n20/D 1.518(lit.)
FEMA  3188 | 2-METHYL-3-FURANTHIOL
FLAVIS Number 13.055 | 2-Methylfuran-3-thiol
Flash point 98 °F
storage temp.  Inert atmosphere,2-8°C
solubility  soluble in Chloroform, Methanol
pka 6.32±0.48(Predicted)
form  Liquid
Specific Gravity 1.145
color  Clear to hazy light pink to light orange
Odor roast beef aroma
Odor Type sulfurous
biological source synthetic
JECFA Number 1060
Major Application flavors and fragrances
Cosmetics Ingredients Functions PERFUMING
InChI 1S/C5H6OS/c1-4-5(7)2-3-6-4/h2-3,7H,1H3
InChIKey RUYNUXHHUVUINQ-UHFFFAOYSA-N
SMILES Cc1occc1S
LogP 2.14
CAS DataBase Reference 28588-74-1(CAS DataBase Reference)
Substances Added to Food (formerly EAFUS) 2-METHYL-3-FURANTHIOL
EWG's Food Scores 1
FDA UNII N21RW1N179
NIST Chemistry Reference 2-Methyl-3-furanthiol(28588-74-1)
EPA Substance Registry System 3-Furanthiol, 2-methyl- (28588-74-1)
UNSPSC Code 12352100
NACRES NA.22

Safety

Symbol(GHS) Flame (GHS02)Skull and Crossbones (GHS06)
Signal wordDanger
Hazard statements H226-H301
Precautionary statements P210-P301+P310+P330
Hazard Codes  T,T+
Risk Statements  10-25-36-26-2017/10/25
Safety Statements  16-45-39-38-28-26
RIDADR  UN 1228 3/PG 3
WGK Germany  3
RTECS  LU6235000
TSCA  TSCA listed
HazardClass  3.2
PackingGroup  III
HS Code  29321900
Storage Class 3 - Flammable liquids
Hazard Classifications Acute Tox. 3 Oral
Flam. Liq. 3
Toxicity mouse,LD50,oral,100mg/kg (100mg/kg),Drug and Chemical Toxicology. Vol. 3, Pg. 249, 1980.
NFPA 704:
2
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