Grundinformationen
- Standard-SMILES
Cc1ccc(C)s1- InChIKey
GWQOOADXMVQEFT-UHFFFAOYSA-N- Summenformel
- C6H8S
- Durchschnittliche Molmasse
- 112,19 g/mol
- Monoisotopische Masse
- 112,03467126
Überblick
2,5-Dimethylthiophene is a member of thiophenes.
Namen und Bezeichner
- Bevorzugter Name
- 2,5-Dimethylthiophene
- IUPAC
- 2,5-dimethylthiophene
- Lokaler Name
- 2,5-Dimethylthiophen
- Englischer Name
- 2,5-Dimethylthiophene
- Summenformel
- C6H8S
- Molmasse
- 112.19
Namen und Synonyme
2,5-DIMETHYLTHIOPHENE638-02-8Thiophene, 2,5-dimethyl-2,5-dimethyl-thiopheneMFCD000054522,5-dimethyl thiopheneV6DDX6WB12NSC-60689UNII-V6DDX6WB12NSC60689EINECS 211-313-92,5 Dimethylthiophene
Weitere Namen anzeigen
2,5-Thioxene2,5-DIMETHYTHIOPHENE2,5-Dimethylthiophene >2 5-DIMETHYLTHIOPHENE 98+%2,5-DIMETHYLTHIOPHENE, 98.5%2,5-Dimethylthiophene, 98.50%2,5-Dimethylthiophene USP/EP/BP2,5-DiMethylthiophene, 98.5% 25ML
Thiophene,5-dimethyl-SCHEMBL64283SCHEMBL126080SCHEMBL127992SCHEMBL1801431SCHEMBL3197397SCHEMBL3927968DTXSID2074295
Datenbank-Bezeichner
- CAS
638-02-8- PubChem CID
- 12514
- DTXSID
DTXSID2074295- ChEBI
CHEBI:167073- UNII
- V6DDX6WB12
- EC Number
- 211-313-9
- Nikkaji
- J3.189.985K、J6.920E
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,4
- Polarare Oberfläche (TPSA)
- 28,2 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 7
- Formalladung
- 0
- Komplexität
- 53,2
Experimentelle und physikochemische Eigenschaften
Chemical ClassesOther Classes -> Thiophenes
SpringerMaterials PropertiesSchoenflies notation
Flavoring AgentsEU Flavoring substances
Boiling Point135.00 °C. @ 760.00 mm Hg
Melting Point-62.6 °C
Vapor Pressure3.0 [mmHg]
Physical Description
Colorless liquid; [Alfa Aesar MSDS]
Liquid
Physikochemische Eigenschaften
- Schmelzpunkt
- -63 °C · -63°C
- Siedepunkt
- 134 °C/740 · 134 °C/740 mmHg (lit.)
- Dichte
- 0.985 g/mL · 0.985 g/mL at 25 °C (lit.)
- Brechungsindex
- 20 · n20/D 1.512(lit.)
- Flammpunkt
- 75 °F · 75 °F
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- Aggregatzustand
- Liquid
- Wichte
- 0.985 · 0.985
- Farbe
- Clear colorless to slightly yellow
- Geruch (Odor)
- 0.1 % · at 0.10 % in propylene glycol. nutty sulfury
- Geruchsart
- sulfurous
- Biologische Quelle
- synthetic
- Wasserlöslichkeit
- Insoluble in water. Soluble in alcohol, ether and benzene.
- BRN
- 106450 · 106450
- Henry's Law Constant
- 3.7 · 3.7×10-3 mol/(m3Pa) at 25℃, Mazza (1980)
- Major Application
- flavors and fragrances
- InChI
- 1S/C6H8S/c1-5-3-4-6(2)7-5/h3-4H,1-2H3
- InChIKey
- GWQOOADXMVQEFT-UHFFFAOYSA-N
- SMILES
- Cc1ccc(C)s1
- LogP
- 2.523 · 2.523 (est)
- CAS Datenbank
- 638 · 638-02-8(CAS DataBase Reference)
- NIST chemische Informationen
- 2 · Thiophene, 2,5-dimethyl-(638-02-8)
- EPA chemische Informationen
- 2 · 2,5-Dimethylthiophene (638-02-8)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1427 reports by companies from 6 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory Information
Chemical: Thiophene, 2,5-dimethyl-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
2,5-Dimethylthiophene: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryMay cause irritation; Harmful by inhalation; [Alfa Aesar MSDS] See Thiophene.
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Sicherheitsdaten
- wgk
- 3
- ridadr
- UN 1993 3/PG 3
- hs_code
- 29349990
- risk_code
- 10-37-20/22
- hazard_code
- Xn,F,Xi
- safety_code
- 23-24/25-16-36-33-29-7/9-3/7/9
- hazard_class
- 3
- packing_group
- II
- Speicherklasse
- 3 - Flammable liquids
- Hazard Classifications
- Flam. Liq. 3
Chemie und Industrie
Pharmakologische Informationen
Cellular LocationsMembrane
Anwendungen
Verwenden2,5-Dimethylthiophene is used as an intermediate in organic synthesis.
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