Dihydrothiophen-3(2H)-on

Dihydro-3(2H)-thiophenone

HCID 61252CAS 1003-04-9
TeilstruktursucheÄhnliche Strukturen suchen

Grundinformationen

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

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)

Physikochemische Eigenschaften

Siedepunkt
175 °C · 175 °C(lit.)
Dichte
1.194 g/mL · 1.194 g/mL at 25 °C(lit.)
Dampfdichte
1 · >1 (vs air)
Brechungsindex
20 · n20/D 1.528(lit.)
FEMA
3266 · 3266 | 4,5-DIHYDRO-3(2H)THIOPHENONE
Flammpunkt
171 °F · 171 °F

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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 · 3 Einträge

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

Chemie und Industrie

Pharmakologische Informationen

Cellular LocationsCytoplasm

Verwendung und Herstellung

Use Classification · 4 Einträge

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 · 3 Einträge

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

Nachgelagerte Produkte

Anbieter50 Anbieter

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
宁夏信达昌科技有限公司13832371507

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