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HCID 34286Erstellt: 26. Oktober 2026

2-Methylfuran-3-thiol

FEMA 3188 · 2-METHYLFURAN-3-THIOL · 2-Methyl-3-Mercapofuran · 3-Furanthiol, 2-methyl- · 2-methyl-3-sulfanylfuran · 2-METHYL-3-MERCAPTOFURAN · fish thiol · Oxycyclothione 030

https://huagongshe.com/de/chemical/34286

Molekülstruktur von 2-Methylfuran-3-thiol

Identifikatoren & physikalische Daten

CAS No.28588-74-1
SummenformelC5H6OS
Durchschnittliche Molmasse114,17 g/mol
Monoisotopische Masse114,01393581 g/mol
SMILESCc1occc1S
InChIKeyRUYNUXHHUVUINQ-UHFFFAOYSA-N
PubChem CID34286
ChEMBLCHEMBL3188696
ChEBICHEBI:167074
EC No.249-094-7
DTXSIDDTXSID5047118
Lokaler Name2-Methylfuran-3-thiol

Chemische & physikalische Eigenschaften

XLogP1,5
Polarare Oberfläche (TPSA)14,1
H-Brücken-Donoren1
H-Brücken-Akzeptoren2
Frei drehbare Bindungen0
Schwere Atome7
Formalladung0
Komplexität65,1
DuftstoffeFragrance Ingredient (2-Methyl-3-furanthiol) -> IFRA transparency List
LebensmittelzusatzstoffeFLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Dichte1.141-1.1501.145 g/mL at 25 °C
AromastoffeEU Flavoring substances
LöslichkeitInsoluble in water,soluble in organic solvents,oilsMiscible at room temperature (in ethanol)soluble in Chloroform, Methanol
Siedepunkt57.00 to 60.00 °C. @ 44.00 mm Hg57-60 °C (44 mm Hg)57-60 °C/44 mmHg (lit.)
Brechungsindex1.509-1.530n20/D 1.518(lit.)
Physical DescriptionPale pink to pale orange liquidaroma of roasted meat
Dampfdichte>1 (vs air)
FEMA3188 | 2-METHYL-3-FURANTHIOL
Flammpunkt98 °F
LagerbedingungenInert atmosphere,2-8°C
pKa (Säurekonstante)6.32±0.48(Predicted)
AggregatzustandLiquid
Wichte1.145
FarbeClear to hazy light pink to light orange
Geruchroast beef aroma
Geruchsartsulfurous
Biologische Quellesynthetic
JECFA Number1060
Hauptanwendungenflavors and fragrances
Kosmetik-Inhaltsstoffe FunktionenPERFUMING
InChI1S/C5H6OS/c1-4-5(7)2-3-6-4/h2-3,7H,1H3
InChIKeyRUYNUXHHUVUINQ-UHFFFAOYSA-N
SMILESCc1occc1S
LogP (Verteilungskoeffizient)2.14
CAS Datenbank28588-74-1(CAS DataBase Reference)
NIST chemische Informationen2-Methyl-3-furanthiol(28588-74-1)
EPA chemische Informationen3-Furanthiol, 2-methyl- (28588-74-1)

Sicherheit & Vorschriften

GHS-EinstufungDangerH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P260, P264, P264+P265, P270, P271, P280, P284, P301+P316, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P320, P321, P330, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 1707 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Regulatorische InformationenChemical: 3-Furanthiol, 2-methyl-Regulation (EC) No 1831/2003 (amended)3-Furanthiol, 2-methyl-: Does not have an individual approval but may be used under an appropriate group standard
Weitere SicherheitsinformationenIMAP assessments - 3-Furanthiol, 2-methyl-: Environment tier I assessment
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Wassergefährdungsklasse (WGK)3
TSCA-Inventar-StatusTSCA listed
UN-TransportnummerUN 1228 3/PG 3
Zollcode29321900
RTECS-Nr.LU6235000
R-Sätze (R)10-25-36-26-2017/10/25
Toxizitätmouse,LD50,oral,100mg/kg (100mg/kg),Drug and Chemical Toxicology. Vol. 3, Pg. 249, 1980.
GefahrensymboleT,T+
Sicherheitshinweise (S)16-45-39-38-28-26
Gefahrenklasse3.2Acute Tox. 3 OralFlam. Liq. 3
VerpackungsgruppeIII
Lagerklasse3 - Flammable liquids

Anwendungen & Verwendung

Beschreibung

2-Methyl-3-furanthiol has an odor and taste of roasted meat.

Occurrence

Reported found in fatty fish and raw chicken, cooked beef and coffee.

Verwenden

2-Methyl-3-furanthiol is used in baking food, meat and spices.

Herstellung & Synthese

synthetische

By a patented process.