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ChemicalBook--->CAS DataBase List--->98-02-2

98-02-2

98-02-2 Structure

98-02-2 Structure
IdentificationMore
[Name]

Furfuryl mercaptan
[CAS]

98-02-2
[Synonyms]

2-FURANMETHANETHIOL
2-FURYLMETHANE THIOL
A-FURFURYL MERCAPTAN
ALPHA-FURFURYL MERCAPTAN
FEMA 2493
FUFURYL MERCAPTAN
FURFURYL MERCAPTAN
Furfuryl mereaptan
FURFURYL THIOL
TIMTEC-BB SBB004308
(2-furanyl)methylmercaptan
2-(mercaptomethyl)furan
2-furfurylmercaptan
2-Furfurylthiol
2-Furylmethyl mercaptan
2-furylmethylmercaptan
2-mercaptomethylfuran
USAF B-58
usafb-58
FURFURYL MERCAPTAN 95+%
[EINECS(EC#)]

202-628-2
[Molecular Formula]

C5H6OS
[MDL Number]

MFCD00003254
[Molecular Weight]

114.17
[MOL File]

98-02-2.mol
Chemical PropertiesBack Directory
[Appearance]

clear colorless to pale yellow liquid
[Melting point ]

157.5 °C
[Boiling point ]

155 °C(lit.)
[density ]

1.132 g/mL at 25 °C(lit.)
[FEMA ]

2493
[refractive index ]

n20/D 1.531(lit.)
[Fp ]

113 °F
[storage temp. ]

Flammables area
[solubility ]

Chloroform (Slightly), Ethyl Acetate (Slightly)
[form ]

Liquid
[pka]

9.59±0.10(Predicted)
[color ]

Clear colorless to pale yellow
[Odor]

at 0.10 % in dipropylene glycol. sulfury roasted coffee oily fatty burnt smoky
[biological source]

synthetic
[Odor Type]

coffee
[Water Solubility ]

insoluble
[Sensitive ]

Air Sensitive
[JECFA Number]

1072
[BRN ]

383594
[Stability:]

Air Sensitive
[LogP]

1.73
[CAS DataBase Reference]

98-02-2(CAS DataBase Reference)
[NIST Chemistry Reference]

2-Furanmethanethiol(98-02-2)
[EPA Substance Registry System]

98-02-2(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

F,Xn
[Risk Statements ]

R10:Flammable.
R36/37:Irritating to eyes and respiratory system .
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
[Safety Statements ]

S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
S24/25:Avoid contact with skin and eyes .
S16:Keep away from sources of ignition-No smoking .
S36:Wear suitable protective clothing .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S7/9:Keep container tightly closed and in a well-ventilated place .
[RIDADR ]

UN 3336 3/PG 3
[WGK Germany ]

3
[RTECS ]

LU2100000
[F ]

10-13-23
[TSCA ]

Yes
[HazardClass ]

3
[PackingGroup ]

III
[HS Code ]

29321900
[Safety Profile]

Poison by intraperitoneal route. Experimental reproductive effects. Used as a flavoring in chocolate, fruit, nuts, and coffee. When heated to decomposition it emits toxic fumes of SOx. See also MERCAPTANS.
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Ethanol-->Sodium hydroxide-->Formaldehyde-->Phosphorus pentasulfide-->CHLOROETHANE-->Sodium hydrosulfide-->2-Chloromethylfuran
[Preparation Products]

Phorate-->Furfuryl methyl sulfide-->4-[(2-FURYLMETHYL)THIO]-3-NITROBENZALDEHYDE-->Difurfuryl sulfide-->3-Mercapto-2-pentanone-->Furfural-->3-IODOBENZYL ALCOHOL-->Difurfuryldisulfide-->2-(FURFURYLTHIO)ETHYLAMINE
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

2-Furylmethanethiol(98-02-2).msds
Hazard InformationBack Directory
[Description]

Furfuryl mercaptan has a characteristic unpleasant odor. It is prepared by reacting thiourea and furfuryl chloride with subsequent hydrolysis of the reaction product; also by reduction of difurfuryl disulfide in alcoholic solution using zinc dust and a small amount of acetic acid or using activated alumina. Furfuryl mercaptan tends to polymerize when heated in the presence of mineral acids.
[Chemical Properties]

2-Furylmethanethiol is an important constituent of the aroma of roasted coffee. It is a liquid with an unpleasant odor, which becomes like coffee when diluted.
[Chemical Properties]

clear colorless to pale yellow liquid
[Chemical Properties]

Furfuryl mercaptan has a characteristic unpleasant odor.
[Occurrence]

Reported found in raw and roasted chicken, cooked beef, grilled pork, sesame seed oil, coffee and popcorn; tends to polymerize when heated in the presence of mineral acids
[Uses]

Furfuryl Mercaptam is a volatile flavor component of corn tortilla chips.
[Definition]

ChEBI: 2-Furanmethanethiol is a heteroarene.
[Preparation]

Furfuryl mercaptan is prepared from furfuryl alcohol, thiourea, and hydrogen chloride.The resulting S-furfurylisothiouronium chloride is cleaved with sodium hydroxide to give furfuryl mercaptan.
[Aroma threshold values]

Detection: 0.005 to 0.01 ppb; aroma characteristics at 0.01%: intense sulfurous onion impact, lacrimator, slightly skunk-like with a dairy nuance and a hint of savory and coffee-like notes.
[Taste threshold values]

Taste characteristics at 0.2 to 1 ppb: sulfureous, roasted, onion, garlic and coffee.
[General Description]

Darkens on storage
[Synthesis]

Prepared by reacting thiourea and furfuryl chloride with subsequent hydrolysis of the reaction product; also by reduction of difurfuryl disulfde in alcoholic solution using zinc dust and a small amount of acetic acid or using activated alumina.
Spectrum DetailBack Directory
[Spectrum Detail]

Furfuryl mercaptan(98-02-2)MS
Furfuryl mercaptan(98-02-2)1HNMR
Furfuryl mercaptan(98-02-2)13CNMR
Furfuryl mercaptan(98-02-2)IR1
Furfuryl mercaptan(98-02-2)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Furfuryl mercaptan, 97%(98-02-2)
[Alfa Aesar]

Furfuryl mercaptan, 98+%(98-02-2)
[Sigma Aldrich]

98-02-2(sigmaaldrich)
[TCI AMERICA]

Furfuryl Mercaptan,>98.0%(GC)(98-02-2)
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