Grundinformationen
- CAS
118-72-9- Standard-SMILES
Cc1cccc(C)c1S- InChIKey
QCLJODDRBGKIRW-UHFFFAOYSA-N- Summenformel
- C8H10S
- Durchschnittliche Molmasse
- 138,23 g/mol
- Monoisotopische Masse
- 138,05032132
Überblick
2,6-Dimethylbenzenethiol is a thiol.
Namen und Bezeichner
- Bevorzugter Name
- 2,6-Dimethylthiophenol
- IUPAC
- 2,6-dimethylbenzenethiol
- Lokaler Name
- 2,6-Dimethylbenzolthiol
- Englischer Name
- 2,6-Dimethylthiophenol
- Summenformel
- C8H10S
- Molmasse
- 138.23
Namen und Synonyme
2,6-Dimethylthiophenol2,6-Dimethylbenzenethiol118-72-92,6-dimethyl thiophenolBENZENETHIOL, 2,6-DIMETHYL-2,6-Xylenethiol2,6-Xylyl mercaptan2,6-dimethylbenzene-1-thiol2,6-DimethylphenylthiolFEMA No. 3666EINECS 204-272-33A223G78P4
Weitere Namen anzeigen
FEMA 36662,6-Thioxylenol2,6-DIMETHYLTHIOPHEN2,6-DIMETHYL PHENTHIOL2,6-Dimethylbenzolthiol2,6-dimethyl-benzenethioDIMETHYLTHIOPHENOL, 2,6-
DTXSID80594772,6-DIMETHYLTHIOPHENOL [FHFI]RefChem:445763DTXCID8033437204-272-32,6-Dimethyl-benzenethiolMFCD00010021UNII-3A223G78P4
Datenbank-Bezeichner
- CAS
118-72-9- PubChem CID
- 61045
- DTXSID
DTXSID8059477- ChEMBL
CHEMBL321211
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,8
- Polarare Oberfläche (TPSA)
- 1 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 9
- Formalladung
- 0
- Komplexität
- 80,6
Experimentelle und physikochemische Eigenschaften
SpringerMaterials PropertiesDiamagnetic susceptibility
LogP
3.150
4.02
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Flavoring AgentsEU Flavoring substances
Solubilityslightly
Boiling Point122.00 °C. @ 50.00 mm Hg
Physikochemische Eigenschaften
- Schmelzpunkt
- -30 °C · -30°C (estimate)
- Siedepunkt
- 122 °C50 · 122 °C50 mm Hg
- Dichte
- 1.038 g/mL · 1.038 g/mL at 25 °C
- Brechungsindex
- 20 · n20/D 1.575
- FEMA
- 3666 · 3666 | 2,6-DIMETHYLTHIOPHENOL
- Flammpunkt
- 186 °F · 186 °F
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1448 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: Benzenethiol, 2,6-dimethyl-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Benzenethiol, 2,6-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Sicherheitsdaten
- wgk
- 2
- tsca
- TSCA listed
- ridadr
- UN 3334
- hs_code
- 29309090
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36/37/39-36-7/9
- hazard_class
- 6.1
- Speicherklasse
- 10 - Combustible liquids
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Pharmakologische Informationen
Cellular LocationsMembrane
Verwendung und Herstellung
General Manufacturing InformationBenzenethiol, 2,6-dimethyl-: ACTIVE
Anwendungen
OccurrenceReported found in boiled beef
Verwenden2,6-Dimethylbenzenethiol was used in the synthesis of (2,6-Me2C6H3S)2Pb by reacting with Pb(OAc)2.
Anbieter100 Anbieter
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