CAS 98-02-2|furan-2-ylmethanethiol|α-FURFURYL MERCAPTAN|2-furanmethanethiol|2-Furylmethanethiol|Furan-2-ylmethanethiol|Furfuryl thiol|2-Furfurylmercaptan|2-Furfurylthiol|Furan-2-ylmethanethiol...

Molecular Formula

C₅H₆OS

Molecular Mass

114.16554

Exact Mass

114.01393581

InChI

InChI=1S/C5H6OS/c7-4-5-2-1-3-6-5/h1-3,7H,4H2

InChIKey

ZFFTZDQKIXPDAF-UHFFFAOYSA-N

Canonic Smiles

SCc1ccco1

Isomeric Smiles

SCc1ccco1

JChem

Acid pKa

9.71261

H Acceptors

H Donor

LogD (pH = 5.5)

1.3615799

LogD (pH = 7.4)

1.3596475

Log P

1.3616046

Molar Refractivity

31.4474

Polarizability

12.087418

Polar Surface Area

13.14

Rotatable Bonds

Lipinski's Rule of Five

true

IUPAC name

furan-2-ylmethanethiol

Synonyms

α-FURFURYL MERCAPTANFuran-2-ylmethanethiol2-Furylmethanethiol2-FurfurylmercaptanFurfuryl thiol2-FurfurylthiolFurfuryl mercaptan2-Furanmethanethiol2-巯甲基呋喃2-Furylmethyl mercaptan(2-Furanyl)methylmercaptan2-(Mercaptomethyl)furanFurfuryl mercaptan2-Furanmethanethiol糠基硫醇糠基硫醇2-巯甲基呋喃2-呋喃基甲硫醇Furfuryl MercaptamNSC 41142糠硫醇Furan-2-ylmethanethiol

IUPAC Traditional name

2-furanmethanethiol

IUPAC Systematic name

Furan-2-ylmethanethiol

Beilstein Number

383594

Wikipedia Title

Furan-2-ylmethanethiol

Council of Europe Number

2202

Flavis Number

13.026

MDL Number

MFCD00003254

MSDS Link

RTECS

LU2100000

Risk Statements

R10,R36/37/38

10-20/21/22-36/37

GHS Signal Word

WARNING

Warning

UN Number

3336

UN1228

European Hazard Symbols

Irritant (Xi)

Harmful (X)

Safety Statements

S2,S24/25,S26,S36

23-26-36/37

GHS Pictograms

Flammable gases, category 1

Flammable aerosols, categories 1,2

Flammable liquids, categories 1,2,3

Self-reactive substances and mixtures, Types B,C,D,E,F

Pyrophoric liquids, category 1

Pyrophoric solids, category 1

Self-heating substances and mixtures

Substances and mixtures, which in contact with water, emit flammable gases, categories 1,2,3

Organic peroxides, Types B,C,D,E,F

Flammable gases, category 1

Flammable aerosols, categories 1,2

Flammable liquids, categories 1,2,3

Self-reactive substances and mixtures, Types B,C,D,E,F

Pyrophoric liquids, category 1

Pyrophoric solids, category 1

Self-heating substances and mixtures

Substances and mixtures, which in contact with water, emit flammable gases, categories 1,2,3

Organic peroxides, Types B,C,D,E,F

Acute toxicity (oral, dermal, inhalation), categories 1,2,3

LD50

100-200 mg kg^-1 (mouse)

GHS Hazard statements

226

H226

H331-H302-H312-H319-H335-H226

Personal Protective Equipment

Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

RID/ADR

UN 3336 3/PG 3

Packing Group

III

Hazard Class

German water hazard class

Regulation Compliance

EU Regulation 1334/2008 & 178/2002

TSCA Listed

是

GHS Precautionary statements

P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A

Storage Warning

Air Sensitive

Product Information

Physical Property

Pharmacology Properties

Allergens

no known allergens

No Data Available

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No Data Available

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MP Biomedicals

05214633

MP Biomedicals Rare Chemical collection

Sigma Aldrich

W249300

Biochem/physiol Actions
Taste at 0.01-0.30 ppm
General description
Darkens on storage
Other Notes
Natural occurrence: Coffee, cooked beef, roasted pork, roasted chicken, and popcorn.
Packaging
1 sample in glass bottle
1, 2.5 kg in glass bottle
Packaged in glass bottles

F20408

Packaging
25 g in glass bottle

TRC

F864300

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

From Data Sources

• Guadagni, D., et al.: J. Sci. Food Agric., 23, 1435 (1972)

• Kerler, J., et al.: J. Food Sci., 61, 1271 (1972)

• Buttery, R., et al.: J. Agric. Food Chem., 45, 837 (1972)