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HCID 62090Erstellt: 4. November 2026

3-[(2-Mercapto-1-methylpropyl)thio]-2-butanol

FEMA 3509 · roasted butanol · a-Methyl-§-mercaptopropyl sulfide · α-Methyl-β-hydroxypropyl · -hydroxypropyl a-methyl-§3-(3-Mercaptobutan-2-ylthio)butan-2-ol · 3-(3-mercaptobutan-2-ylthio)-2-butanol · 3-(3-sulfanylbutan-2-ylsulfanyl)butan-2-ol · 2-Butanol, 3-(2-mercapto-1-methylpropyl)thio-

https://huagongshe.com/de/chemical/62090

Molekülstruktur von 3-[(2-Mercapto-1-methylpropyl)thio]-2-butanol

Identifikatoren & physikalische Daten

CAS No.54957-02-7
SummenformelC8H18OS2
Durchschnittliche Molmasse194,4 g/mol
Monoisotopische Masse194,07990754 g/mol
SMILESCC(O)C(C)SC(C)C(C)S
InChIKeyPHLKBLKTWMSFGF-UHFFFAOYSA-N
PubChem CID62090
ChEBICHEBI:172910
EC No.639-065-0
DTXSIDDTXSID90866455

Chemische & physikalische Eigenschaften

XLogP2,2
Polarare Oberfläche (TPSA)46,5
H-Brücken-Donoren2
H-Brücken-Akzeptoren3
Frei drehbare Bindungen4
Schwere Atome11
Formalladung0
Komplexität108
LebensmittelzusatzstoffeFLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Dichte1.040-1.0501.035±0.06 g/cm3(Predicted)
AromastoffeEU Flavoring substances
Löslichkeitinsoluble in watersoluble in alcoholslightly soluble in fat(in ethanol)
Siedepunkt85.00 to 88.00 °C. @ 0.40 mm Hg85-88 °C (0.4 mm Hg)288.0±20.0 °C(Predicted)
Brechungsindex1.512-1.522
FEMA3509 | ALPHA-METHYL-BETA-HYDROXYPROPYL ALPHA-METHYL-BETA-MERCAPTOPROPYL SULFIDE
pKa (Säurekonstante)10.24±0.10(Predicted)
Geruchat 0.10 % in propylene glycol. roasted meaty burnt fatty sulfurous
Geruchsartmeaty
JECFA Number547
LogP (Verteilungskoeffizient)2.07
CAS Datenbank54957-02-7

Sicherheit & Vorschriften

GHS-EinstufungThis chemical does not meet GHS hazard criteria for 87.9% (80 of 91) of all reports.WarningH335 (12.1%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P271, P304+P340, P319, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 91 reports by companies from 3 notifications to the ECHA C&L Inventory.
Regulatorische InformationenChemical: 2-Butanol, 3-[(2-mercapto-1-methylpropyl)thio]-2-Butanol, 3-(2-mercapto-1-methylpropyl)thio-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSTOT SE 3 (12.1%)
AlarmwortWarnung
GefahrenhinweiseCode Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H335