Grundinformationen
- CAS
13679-70-4- Standard-SMILES
Cc1ccc(C=O)s1- InChIKey
VAUMDUIUEPIGHM-UHFFFAOYSA-N- Summenformel
- C6H6OS
- Durchschnittliche Molmasse
- 126,18 g/mol
- Monoisotopische Masse
- 126,01393581
Überblick
5-Methyl-2-thiophenecarboxaldehyde is a member of thiophenes.
Namen und Bezeichner
- Bevorzugter Name
- 5-Methyl-2-thiophenecarboxaldehyde
- IUPAC
- 5-methylthiophene-2-carbaldehyde
- Lokaler Name
- 5-Methylthiophen-2-carbaldehyd
- Englischer Name
- 5-Methylthiophene-2-carboxaldehyde
- Summenformel
- C6H6OS
- Molmasse
- 126.18
Namen und Synonyme
13679-70-45-METHYL-2-THIOPHENECARBOXALDEHYDE5-Methylthiophene-2-carbaldehyde5-Methylthiophene-2-carboxaldehyde2-Thiophenecarboxaldehyde, 5-methyl-2-Formyl-5-methylthiophene5-Methyl-2-formylthiophene5-Methylthiophene-2-aldehydebread thiophene5-Methyl-2-thiophencarboxaldehydeFEMA No. 3209DTXSID0047169
Weitere Namen anzeigen
2-Methyl-5-thiophenecarboxaldehydeFEMA 3209AKOS B015983AKOS BBS-00003245TIMTEC-BB SBB004249
thiophene, 2-Methyl, 5-formyl5-Methyl-2-carboxaldehyde-thiopheneEINECS 237-178-6Thiophen-2-carboxaldehyde, 5-methylUNII-UDF14S002LNSC 875425-Methyl-2-thienylcarbaldehydeUDF14S002L
Datenbank-Bezeichner
- CAS
13679-70-4- PubChem CID
- 61663
- DTXSID
DTXSID0047169
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,8
- Polarare Oberfläche (TPSA)
- 45,3 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 8
- Formalladung
- 0
- Komplexität
- 92,5
Experimentelle und physikochemische Eigenschaften
FragrancesFragrance Ingredient (5-Methyl-2-thiophenecarboxaldehyde) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.168-1.172
Flavoring AgentsEU Flavoring substances
Solubility
Soluble in most organic solvents
Miscible at room temperature (in ethanol)
Boiling Point113-114 °C (25 mm Hg)
Refractive Index1.574-1.586
Physical DescriptionPale yellow, gold, orange or dark brown liquid; roasted, nutty odour
Physikochemische Eigenschaften
- Schmelzpunkt
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
This chemical does not meet GHS hazard criteria for 4.8% (66 of 1383) of reports.
Warning
H302 (93%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1383 reports by companies from 7 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory Information
Chemical: 2-Thiophenecarboxaldehyde, 5-methyl-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
2-Thiophenecarboxaldehyde, 5-methyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (93%)
Sicherheitsdaten
- F
- 8
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29349990
- risk_code
- 36/37/38
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 23-24/25-36-26-7/9-37
- hazard_class
- IRRITANT, AIR SENSITIVE
- Speicherklasse
- 10 - Combustible liquids
Chemie und Industrie
Pharmakologische Informationen
Cellular LocationsCytoplasm
Verwendung und Herstellung
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing Information2-Thiophenecarboxaldehyde, 5-methyl-: ACTIVE
Anwendungen
BeschreibungMay be synthesized from thiophene (or its derivatives) and formamide in the presence of POCl3; from N-(2-thenyl)formaldimines.
OccurrenceReported found in French fried potato, roasted peanuts, tomato, wheat bread, raw chicken, cooked beef, pork liver, cognac, malt whiskey, coffee, popcorn, krill, shrimp and okra
Verwenden5-Methylthiophene-2-carboxaldehyde is used as a food additive. It is an analytical reagent. The reagent has been synthesized and characterized using IR, 1H NMR and Mass spectral data.
Darstellung
synthetischeFrom thiophene (or its derivatives) and formamide in the presence of POCl3; from N-(2-thienyl)formaldimines.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Zugehörige Reaktionen
67
Notizen zur Verbindung
Wird geladen…