Grundinformationen
- CAS
4861-58-9- Standard-SMILES
CCCCCc1cccs1- InChIKey
NOYVOSGVFSEKPR-UHFFFAOYSA-N- Summenformel
- C9H14S
- Durchschnittliche Molmasse
- 154,27 g/mol
- Monoisotopische Masse
- 154,08162162
Namen und Bezeichner
- Bevorzugter Name
- 2-Pentylthiophene
- IUPAC
- 2-pentylthiophene
- Lokaler Name
- 1-Methylbutylthiophen
- Englischer Name
- 2-n-Pentylthiophene
- Summenformel
- C9H14S
- Molmasse
- 154.27
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
4861-58-9- PubChem CID
- 20995
- DTXSID
DTXSID8063628- ChEBI
CHEBI:89509- UNII
- L79LOS1ZKM
- EC Number
- 225-465-9
- Nikkaji
- J45.629B
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 4,3
- Polarare Oberfläche (TPSA)
- 28,2 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 10
- Formalladung
- 0
- Komplexität
- 80
Experimentelle und physikochemische Eigenschaften
Solubility
Practically insoluble to insoluble in water; Soluble in hexane and pentane
Soluble (in ethanol)
Boiling Point
96.00 °C. @ 30.00 mm Hg
202-205 °C
Kovats Retention Index
1143;1153;1151;1141;1142;1141;1142
1164;1164;1176;1170;1165;1165;1170;1169;1170;1164
1438;1438;1452;1437;1440;1462;1460;1456;1443.4;1455.9
Physikochemische Eigenschaften
- Schmelzpunkt
- -49.15 °C · -49.15°C (estimate)
- Siedepunkt
- 95 · 95-97°C 30mm
- Dichte
- 0 · 0,944 g/cm3
- Brechungsindex
- 1.4995 · 1.4995
- FEMA
- 4387 · 4387 | 2-PENTYLTHIOPHENE
- Flammpunkt
- 75 °C · 75°C
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- Aggregatzustand
- clear liquid
- Farbe
- Colorless to Brown
- Geruch (Odor)
- 1 % · at 1.00 % in propylene glycol. fatty chicken coup cranberry roasted hazelnut corn roasted barley fermented meaty bloody
- Geruchsart
- fatty
- Biologische Quelle
- synthetic
- Wasserlöslichkeit
- Slightly soluble in water.
- JECFA Number
- 2106 · 2106
- BRN
- 107941 · 107941
- Major Application
- 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
- 4.48 · 4.48
- CAS Datenbank
- 4861 · 4861-58-9(CAS DataBase Reference)
- EPA chemische Informationen
- 2 · Thiophene, 2-pentyl- (4861-58-9)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 5.3% (77 of 1442) of reports.
Warning
H302 (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.
Gefahrenhinweise
Regulatory Information
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
Regulatorische Informationen
Regulatory Information
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
Sicherheitsdaten
- wgk
- WGK 3
- tsca
- TSCA listed
- ridadr
- 1993
- hs_code
- 38220090
- risk_code
- 10-20/21/22-36/37/38-22
- hazard_code
- Xi,Xn
- hazard_note
- Harmful/Irritant
- safety_code
- 16-23-26-36-35-3/9/49-43
- packing_group
- III
- Speicherklasse
- 10 - Combustible liquids
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 Oral
Chemie und Industrie
Pharmakologische Informationen
Verwendung und Herstellung
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Anwendungen
VerwendenIt is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff. Also used as flavoring agent for food.
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