2-(4-メチルブチル)チオフェン

2-Pentylthiophene

HCID 20995

基本情報

CAS
4861-58-9
標準SMILES
CCCCCc1cccs1
InChIKey
NOYVOSGVFSEKPR-UHFFFAOYSA-N
分子式
C9H14S
平均分子量
154.27 g/mol
単同位体質量
154.08162162

名称と識別子

優先名称
2-Pentylthiophene
IUPAC
2-pentylthiophene
現地名
2-(4-メチルブチル)チオフェン
英語名
2-n-Pentylthiophene
分子式
C9H14S
分子量
154.27

名称と別名

2-PENTYLTHIOPHENE4861-58-92-n-PentylthiopheneThiophene, 2-pentyl-2-n-Amylthiophene2-pentyl-thiopheneUNII-L79LOS1ZKML79LOS1ZKMEINECS 225-465-9DTXSID8063628FEMA NO. 43872-PENTYLTHIOPHENE [FHFI]
名称をさらに表示
2-ペンチルチオフェン2-(4-メチルブチル)チオフェン2-アミルチオフェン2-N-アミルチオフェン2-N-Penthylphiophene2-amylthiophene2-pentyl-thiophen2-Penthyl thiophene2-Pentylthiophene>1-(2-THIENYL)PENTANE
sec-PentylthiopheneRefChem:889991-Methyl butyl thiopheneDTXCID4040632225-465-9NOYVOSGVFSEKPR-UHFFFAOYSA-N1-MethylbutylthiopheneC9H14S

データベース識別子

CAS
4861-58-9
PubChem CID
20995
DTXSID
DTXSID8063628
ChEBI
CHEBI:89509
UNII
L79LOS1ZKM
EC Number
225-465-9
Nikkaji
J45.629B

物性

構造計算による物性

XLogP
4.3
極性表面積
28.2 Ų
水素結合供与体数
0
水素結合受容体数
1
回転可能結合数
4
重原子数
10

実験および物理化学的性質

Density0.942-0.949
Solubility · 2 件

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

Soluble (in ethanol)

Boiling Point · 2 件

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 件

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

物理化学的性質

融点
-49.15 °C · -49.15°C (estimate)
沸点
95 · 95-97°C 30mm
比重(密度)
0 · 0,944 g/cm3
屈折率
1.4995 · 1.4995
FEMA
4387 · 4387 | 2-PENTYLTHIOPHENE
闪点
75 °C · 75°C

化学的性質

化学的特性Clear, colorless liquid; blood, fried aroma.

安全と法規制

GHS分類

GHS Classification · 6 件

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.

危険有害性情報

Regulatory Information · 3 件

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%)

法規制情報

Regulatory Information · 3 件

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

安全データ

wgk
WGK 3
tsca
TSCA listed
ridadr
1993
hs_code
38220090
risk_code
10-20/21/22-36/37/38-22
消防法
危-4-3-III

化学と産業

薬理情報

Cellular LocationsMembrane

用途と製造

Use Classification · 2 件

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

General Manufacturing InformationThiophene, 2-pentyl-: ACTIVE

応用分野

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

サプライヤー100 社

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]

関連反応

5 件

化合物ノート

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