Name | furfuryl mercaptan |
Synonyms | furfuryl mercaptan 2-Furanmethanethiol 2-furylmethanethiol furan-2-ylmethanethiol |
CAS | 98-02-2 |
EINECS | 202-628-2 |
InChI | InChI=1/C5H6OS/c7-4-5-2-1-3-6-5/h1-3,7H,4H2 |
Molecular Formula | C5H6OS |
Molar Mass | 114.165 |
Density | 1.112g/cm3 |
Melting Point | 157.5 °C |
Boling Point | 155°C at 760 mmHg |
Flash Point | 45°C |
Water Solubility | insoluble |
Vapor Presure | 3.98mmHg at 25°C |
Appearance | Clear colorless to pale yellow Liquid |
pKa | 9.59±0.10(Predicted) |
Storage Condition | Flammables area |
Stability | Air Sensitive |
Refractive Index | 1.523 |
Physical and Chemical Properties | Oillike liquid with unpleasant smell; strong coffee aroma and meat aroma in trace amounts. Boiling point 155 ℃, relative density (d420)1.1319, refractive index (nD20)1.5329. Insoluble in water, soluble in organic solvents and dilute lye. It is easy to polymerize when heated in the presence of inorganic acid. Flash point 45 ℃. |
Use | For coffee, chocolate, tobacco, etc |
Risk Codes | R10 - Flammable |
Safety Description | S16 - Keep away from sources of ignition. |
UN IDs | UN 3336 3/PG 3 |
WGK Germany | 3 |
RTECS | LU2100000 |
FLUKA BRAND F CODES | 10-13-23 |
TSCA | Yes |
HS Code | 29321900 |
Hazard Class | 3 |
Packing Group | III |
melting point 157.5 c
boiling point 155 c (lit.)
density 1.132g/mL at 25 c (lit.)
FEMA 2493 | FURFURYL MERCAPTAN
refractive index n20/D 1.531(lit.)
flash point 113 °F
storage condition Flammables area
acidity coefficient (pKa) 9.59±0.10(Predicted)
Morphological Liquid
color clear colorless to pale yellow
water solubility insoluble
Sensitivity Air Sensitive
JECFA Number 1072
BRN 383594
Toxic GRAS(FEMA).
use limited FEMA(mg/kg): soft drink 0.52; Cold drink 0.78; Candy 2.0; Baked products 2.1; Jelly and pudding 0.10; Frost 0.50.
Maximum allowable use of food additives Maximum allowable residue standard
Furfuryl mercaptan food and food spices shall not exceed the maximum allowable amount and maximum allowable residual amount in GB 2760
chemical properties oily liquid, with unpleasant smell; In small amounts, it has strong coffee aroma and meat aroma. Boiling point 155 ℃, relative density (d420)1.1319, refractive index (nD20)1.5329. Insoluble in water, soluble in organic solvents and dilute lye. It is easy to polymerize when heated in the presence of inorganic acid. Flash point 45 ℃.
Natural products are found in chicken, beef, coffee, etc.
use GB 2760-1996 provisions are allowed to use food spices. Used to prepare coffee, beef, onion, garlic and other flavors.
uses for coffee, chocolate, tobacco, etc.
Uses mercaptans; food additives; edible flavors (flavoring agents)
The production method is formed by hydrolysis of the product after the reaction of thiourea and furfuryl chloride.
Category toxic substances
toxicity grade high toxicity
acute toxicity abdominal cavity-mouse LD50: 100 mg/kg
Flammability hazard characteristics Open flame is flammable; high heat emits toxic sulfur oxide gas
Storage and transportation characteristics The warehouse is ventilated and dry at low temperature; stored separately from oxidants and food additives
Extinguishing agent foam, mist water, carbon dioxide, sand
dangerous goods mark F,Xn
Hazard category code 10-36/37-20/21/22
Safety instructions 23-24/25-16-36-26-7/9
Dangerous goods shipping number UN 3336 3/PG 3
WGK Germany 3
RTECS number LU2100000
F 10-13-23
TSCA Yes
HazardClass 3
PackingGroup III
customs code 29321900