Dihydrothiophen-3(2H)-on
Dihydro-3(2H)-thiophenone
Grundinformationen
- CAS
1003-04-9- Standard-SMILES
O=C1CCSC1- InChIKey
DSXFPRKPFJRPIB-UHFFFAOYSA-N- Summenformel
- C4H6OS
- Durchschnittliche Molmasse
- 102,16 g/mol
- Monoisotopische Masse
- 102,01393581
Namen und Bezeichner
- Bevorzugter Name
- Dihydro-3(2H)-thiophenone
- IUPAC
- thiolan-3-one
- Lokaler Name
- Dihydrothiophen-3(2H)-on
- Englischer Name
- Tetrahydrothiophen-3-one
- Summenformel
- C4H6OS
- Molmasse
- 102.15
Namen und Synonyme
Tetrahydrothiophen-3-one1003-04-9Dihydrothiophen-3(2H)-one3(2H)-THIOPHENONE, DIHYDRO-Dihydro-3(2H)-thiophenone3-TetrahydrothiophenoneFEMA No. 32664,5-Dihydro-3(2H)thiophenoneUNII-0E9MKH53DV0E9MKH53DV3-thiolanoneEINECS 213-698-9
Weitere Namen anzeigen
4,5-DIHYDRO-3(2H)-THIOPHENONEDihydro-3-(2H)-thiophenoneTETRAHYDROTHIOPHENE-3-ONETetrahydro-thienone3(2H)-dihydrothiophenone4,5-Dihydrothiophen-3(2H)-one3-THIOPHANONE
NSC-241151tetrahydrothien-3-onetetrahydro-thiophen-3-oneDIHYDRO-3(2H)THIOPHENONE, 4,5-DTXSID9061388FEMA 32663-Oxo-2,3,4, 5-tetrahydrothiopheneDihydro-3-(2H)-thiophenone (tetrahydrothiophen-3-one)
Datenbank-Bezeichner
- CAS
1003-04-9- PubChem CID
- 61252
- DTXSID
DTXSID9061388- UNII
- 0E9MKH53DV
- EC Number
- 213-698-9
- Nikkaji
- J150.108I
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,4
- Polarare Oberfläche (TPSA)
- 42,4 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 6
- Formalladung
- 0
- Komplexität
- 69,9
Experimentelle und physikochemische Eigenschaften
SpringerMaterials PropertiesCoriolis coupling
FragrancesFragrance Ingredient (4,5-Dihydro-3(2H)thiophenone) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.194-1.199 (20 °C)
Flavoring AgentsEU Flavoring substances
Solubility(in ethanol)
Boiling Point
175.00 °C. @ 760.00 mm Hg
174-175 °C; 73 °C (15 mm Hg) ; 86-87 °C (25 mm Hg)
Refractive Index1.527-1.531
Physical Description
Liquid
colourless to yellow liquid with garlic, meaty, green vegetable, buttery odour
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
H302 (92.8%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1549 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: 3(2H)-Thiophenone, dihydro-
Regulation (EC) No 1831/2003 (amended)
3(2H)-Thiophenone, dihydro-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (92.8%)
Sicherheitsdaten
- F
- 8-13
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 3334
- hs_code
- 29349990
- risk_code
- 36/37/38
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36-36/37/39
- Speicherklasse
- 10 - Combustible liquids
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Pharmakologische Informationen
Cellular LocationsCytoplasm
Verwendung und Herstellung
Use Classification
Fragrance Ingredients
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing Information3(2H)-Thiophenone, dihydro-: ACTIVE
Anwendungen
BeschreibungTetrahydro-thiophene-3-one is a heterocyclic nonaromatic ketone. It has a garlic meaty, green vegetable, buttery odor. It is present in cooked beef, coffee, roast filbert, and roasted peanut. Tetrahydro-thiophene-3-one is used as a food flavoring agent. It is also a valuable organic substance key that opens the synthetic access to numerous derivatives of thiophene.
OccurrenceReported found in cooked beef, coffee, roasted filberts and roasted peanuts.
VerwendenUsed for blending soft drinks, beverage, meat products, confectionery, and milk product flavors.
Darstellung
synthetischeFrom 4-methoxycarboxyl-3-oxothiophane treated with 10% sulfuric acid.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Zugehörige Reaktionen
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