2-N-펜틸티오펜

2-Pentylthiophene

HCID 20995

기본 정보

CAS
4861-58-9
표준 SMILES
CCCCCc1cccs1
InChIKey
NOYVOSGVFSEKPR-UHFFFAOYSA-N
분자식
C9H14S
평균 분자량
154.27 g/mol
단동위원소 질량
154.08162162

이름 및 식별자

우선 이름
2-Pentylthiophene
IUPAC
2-pentylthiophene
현지명
2-N-펜틸티오펜
영어명
2-n-Pentylthiophene
분자식
C9H14S
분자량
154.27

이름 및 동의어

2-PENTYLTHIOPHENE4861-58-92-n-PentylthiopheneThiophene, 2-pentyl-2-n-Amylthiophene2-pentyl-thiopheneUNII-L79LOS1ZKML79LOS1ZKMEINECS 225-465-9DTXSID8063628FEMA NO. 43872-PENTYLTHIOPHENE [FHFI]
이름 더 보기
2-N-펜틸티오펜2-N-Penthylphiophene2-amylthiophene2-pentyl-thiophen2-Penthyl thiophene2-Pentylthiophene>1-(2-THIENYL)PENTANE
sec-PentylthiopheneRefChem:889991-Methyl butyl thiopheneDTXCID4040632225-465-9NOYVOSGVFSEKPR-UHFFFAOYSA-N1-MethylbutylthiopheneC9H14S

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP
4.3
극성 표면적
28.2 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
1
회전 가능 결합 수
4
무거운 원자 수
10

실험 및 물리화학적 성질

Density0.942-0.949
Solubility · 2건

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

Soluble (in ethanol)

Boiling Point · 2건

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 · 3건

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

물리화학적 성질

녹는점
-49.15 °C · -49.15°C (estimate)
끓는 점
95 · 95-97°C 30mm
밀도
0 · 0,944 g/cm3
굴절률
1.4995 · 1.4995
FEMA
4387 · 4387 | 2-PENTYLTHIOPHENE
인화점
75 °C · 75°C

화학적 성질

Clear, colorless liquid; blood, fried aroma.

안전 및 규제

GHS 분류

GHS Classification · 6건

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.

유해성 정보

Regulatory Information · 3건

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%)

규제 정보

Regulatory Information · 3건

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

안전 데이터

wgk
WGK 3
tsca
TSCA listed
ridadr
1993
HS 번호
38220090
risk_code
10-20/21/22-36/37/38-22
hazard_code
Xi,Xn

화학 및 산업

약리 정보

Cellular LocationsMembrane

용도 및 제조

Use Classification · 2건

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

General Manufacturing InformationThiophene, 2-pentyl-: ACTIVE

응용 분야

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

공급사100 곳

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]

관련 반응

5건

화합물 노트

불러오는 중…