1-Methylbutylthiophen

Thiophene, 2-pentyl- · 2-PENTYLTHIOPHENE · 2-N-Penthylphiophene · 2-amylthiophene · 2-N-AMYLTHIOPHENE · 2-pentyl-thiophen · 2-Penthyl thiophene · 2-n-Pentylthiophene

https://huagongshe.com/de/chemical/20995

Molekülstruktur von 1-Methylbutylthiophen

Identifikatoren & physikalische Daten

CAS No.	4861-58-9
Summenformel	C9H14S
Durchschnittliche Molmasse	154,27 g/mol
Monoisotopische Masse	154,08162162 g/mol
SMILES	CCCCCc1cccs1
InChIKey	NOYVOSGVFSEKPR-UHFFFAOYSA-N
PubChem CID	20995
ChEBI	CHEBI:89509
EC No.	225-465-9
DTXSID	DTXSID8063628
Lokaler Name	1-Methylbutylthiophen

Chemische & physikalische Eigenschaften

XLogP	4,3
Polarare Oberfläche (TPSA)	28,2
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	1
Frei drehbare Bindungen	4
Schwere Atome	10
Formalladung	0
Komplexität	80
Dichte	0.942-0.9490,944 g/cm3
Löslichkeit	Practically insoluble to insoluble in waterSoluble in hexane and pentaneSoluble (in ethanol)Slightly soluble in water.
Siedepunkt	96.00 °C. @ 30.00 mm Hg202-205 °C95-97°C 30mm
Brechungsindex	1.493-1.5011.4995
Physical Description	Clear colourless liquidFruity, fatty aroma with a cranberry note
Kovats Retention Index	114311531151114111421164117611701165116914381452143714401462146014561443.41455.9
Schmelzpunkt	-49.15°C (estimate)
FEMA	4387 \| 2-PENTYLTHIOPHENE
Flammpunkt	75°C
Lagerbedingungen	Keep in dark place,Inert atmosphere,Room temperature
Aggregatzustand	clear liquid
Farbe	Colorless to Brown
Geruch	at 1.00 % in propylene glycol. fatty chicken coup cranberry roasted hazelnut corn roasted barley fermented meaty bloody
Geruchsart	fatty
Biologische Quelle	synthetic
JECFA Number	2106
BRN	107941
Hauptanwendungen	flavors and fragrances
InChI	1S/C9H14S/c1-2-3-4-6-9-7-5-8-10-9/h5,7-8H,2-4,6H2,1H3
InChIKey	NOYVOSGVFSEKPR-UHFFFAOYSA-N
SMILES	[s]1c(ccc1)CCCCC
LogP (Verteilungskoeffizient)	4.48
CAS Datenbank	4861-58-9(CAS DataBase Reference)
EPA chemische Informationen	Thiophene, 2-pentyl- (4861-58-9)

Sicherheit & Vorschriften

GHS-Einstufung	This chemical does not meet GHS hazard criteria for 5.3% (77 of 1442) of reports.WarningH302 (92.1%): Harmful if swallowed [Warning Acute toxicity, oral]H312 (89.5%): Harmful in contact with skin [Warning Acute toxicity, dermal]H332 (89.5%): Harmful if inhaled [Warning Acute toxicity, inhalation]P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 1442 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 77 of 1442 reports by companies.There are 6 notifications provided by 1365 of 1442 reports by companies with hazard statement code(s).Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Regulatorische Informationen	Chemical: Thiophene, 2-pentyl-Regulation (EC) No 1831/2003 (amended)Thiophene, 2-pentyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories	Acute Tox. 4 (92.1%)Acute Tox. 4 (89.5%)
Wassergefährdungsklasse (WGK)	WGK 3
TSCA-Inventar-Status	TSCA listed
UN-Transportnummer	1993
Zollcode	38220090
R-Sätze (R)	10-20/21/22-36/37/38-22
Gefahrensymbole	Xi,Xn
hazard_note	Harmful/Irritant
Sicherheitshinweise (S)	16-23-26-36-35-3/9/49-43

Anwendungen & Verwendung

Verwenden

It is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff. Also used as flavoring agent for food.