Furan-2-ylmethanethiol

Names

[ CAS No. ]:
98-02-2

[ Name ]:
Furan-2-ylmethanethiol

[Synonym ]:
2-Furylmethylsulfide
Furfuryl mercaptan
2-Furanmethanethiol
α-Furfuryl mercaptan
T5OJ B1SH
2-Furfurylmercaptan
EINECS 202-628-2
Furan-2-methanethiol
2-Furylmethyl mercaptan
2-Furylmethanethiol
Furan-2-ylmethanethiol
MFCD00003254
(2-Furanyl)methylmercaptan

Chemical & Physical Properties

[ Density]:
1.1±0.1 g/cm3

[ Boiling Point ]:
155.0±0.0 °C at 760 mmHg

[ Molecular Formula ]:
C₅H₆OS

[ Molecular Weight ]:
114.165

[ Flash Point ]:
45.0±0.0 °C

[ Exact Mass ]:
114.013931

[ PSA ]:
51.94000

[ LogP ]:
1.90

[ Vapour Pressure ]:
4.0±0.2 mmHg at 25°C

[ Index of Refraction ]:
1.524

[ Water Solubility ]:
insoluble

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: LU2100000

CHEMICAL NAME :: 2-Furanmethanethiol

CAS REGISTRY NUMBER :: 98-02-2

BEILSTEIN REFERENCE NO. :: 0383594

LAST UPDATED :: 199709

DATA ITEMS CITED :: 4

MOLECULAR FORMULA :: C5-H6-O-S

MOLECULAR WEIGHT :: 114.17

WISWESSER LINE NOTATION :: T5OJ B1SH

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 100 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: AD277-689 ** OTHER MULTIPLE DOSE TOXICITY DATA **

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 2730 mg/kg/13W-C

TOXIC EFFECTS :: Behavioral - food intake (animal) Nutritional and Gross Metabolic - weight loss or decreased weight gain

REFERENCE :: FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 15,383,1977 ** REPRODUCTIVE DATA **

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 1260 mg/kg

SEX/DURATION :: male 42 day(s) pre-mating

TOXIC EFFECTS :: Reproductive - Paternal Effects - testes, epididymis, sperm duct

REFERENCE :: FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 15,383,1977

Safety Information

[ Symbol ]:

GHS02

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H226

[ Personal Protective Equipment ]:
Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter

[ Hazard Codes ]:
Xn: Harmful;F: Flammable;

[ Risk Phrases ]:
R10

[ Safety Phrases ]:
S23-S24/25-S16

[ RIDADR ]:
UN 3336 3/PG 3

[ WGK Germany ]:
3

[ RTECS ]:
LU2100000

[ Packaging Group ]:
III

[ Hazard Class ]:
3

[ HS Code ]:
2932999099

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

DownStream

Customs

[ HS Code ]: 2932190090

[ Summary ]:
2932190090 other compounds containing an unfused furan ring (whether or not hydrogenated) in the structure VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:20.0%

Articles

Generation of thiols by biotransformation of cysteine-aldehyde conjugates with baker's yeast.

J. Agric. Food Chem. 51(12) , 3629-35, (2003)

Baker's yeast was shown to catalyze the transformation of cysteine-furfural conjugate into 2-furfurylthiol. The biotransformation's yield and kinetics were influenced by the reaction parameters such a...

Lipase-assisted generation of 2-methyl-3-furanthiol and 2-furfurylthiol from thioacetates.

J. Agric. Food Chem. 50(14) , 4087-90, (2002)

Enzymatic hydrolysis of S-3-(2-methylfuryl) thioacetate and S-2-furfuryl thioacetate using lipase from Candida rugosa produced 2-methyl-3-furanthiol and 2-furfurylthiol, respectively. When reactions w...

Effect of type of oil and addition of delta-tocopherol on model flavor compound stability during storage.

J. Agric. Food Chem. 55(22) , 9189-94, (2007)

The objective of this study was to investigate approaches to protect selected flavor compounds from deterioration when stored in an oil matrix. An aroma compound model mixture was prepared in a medium...