1-Methylbutylthiophen

2-Pentylthiophene

HCID 20995

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

2-PENTYLTHIOPHENE4861-58-92-n-PentylthiopheneThiophene, 2-pentyl-2-n-Amylthiophene2-pentyl-thiopheneUNII-L79LOS1ZKML79LOS1ZKMEINECS 225-465-9DTXSID8063628FEMA NO. 43872-PENTYLTHIOPHENE [FHFI]
Weitere Namen anzeigen
2-N-Penthylphiophene2-amylthiophene2-pentyl-thiophen2-Penthyl thiophene2-Pentylthiophene>1-(2-THIENYL)PENTANE
sec-PentylthiopheneRefChem:889991-Methyl butyl thiopheneDTXCID4040632225-465-9NOYVOSGVFSEKPR-UHFFFAOYSA-N1-MethylbutylthiopheneC9H14S

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

Experimentelle und physikochemische Eigenschaften

Density0.942-0.949
Solubility · 2 Einträge

Practically insoluble to insoluble in water; Soluble in hexane and pentane

Soluble (in ethanol)

Boiling Point · 2 Einträge

96.00 °C. @ 30.00 mm Hg

202-205 °C

Refractive Index1.493-1.501
Physical DescriptionClear colourless liquid; Fruity, fatty aroma with a cranberry note
Kovats Retention Index · 3 Einträge

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

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

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 · 3 Einträge

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 CategoriesAcute Tox. 4 (92.1%);Acute Tox. 4 (89.5%);Acute Tox. 4 (89.5%)

Regulatorische Informationen

Regulatory Information · 3 Einträge

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

Chemie und Industrie

Pharmakologische Informationen

Cellular LocationsMembrane

Verwendung und Herstellung

Use Classification · 2 Einträge

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

General Manufacturing InformationThiophene, 2-pentyl-: ACTIVE

Anwendungen

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

Anbieter100 Anbieter

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]
湖北鑫杰成化工科技有限公司13554075426 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
清宁生物(江苏博泉生物科技有限公司)19352250998 · [email protected]

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