Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
2-N-펜틸티오펜
2-N-펜틸티오펜 · Thiophene, 2-pentyl- · 2-PENTYLTHIOPHENE · 2-N-Penthylphiophene · 2-amylthiophene · 2-N-AMYLTHIOPHENE · 2-pentyl-thiophen · 2-Penthyl thiophene
식별자 및 물리적 특성
| CAS No. | 4861-58-9 |
|---|---|
| 분자식 | C9H14S |
| 평균 분자량 | 154.27 g/mol |
| 단동위원소 질량 | 154.08162162 g/mol |
| SMILES | CCCCCc1cccs1 |
| InChIKey | NOYVOSGVFSEKPR-UHFFFAOYSA-N |
| PubChem CID | 20995 |
| ChEBI | CHEBI:89509 |
| EC No. | 225-465-9 |
| DTXSID | DTXSID8063628 |
| 현지명 | 2-N-펜틸티오펜 |
화학 및 물리적 성질
| XLogP | 4.3 |
|---|---|
| 극성 표면적 | 28.2 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 4 |
| 무거운 원자 수 | 10 |
| 형식 전하 | 0 |
| 복잡도 | 80 |
| 밀도 | 0.942-0.9490,944 g/cm3 |
| 용해도 | Practically insoluble to insoluble in waterSoluble in hexane and pentaneSoluble (in ethanol) |
| 끓는 점 | 96.00 °C. @ 30.00 mm Hg202-205 °C95-97°C 30mm |
| 굴절률 | 1.493-1.5011.4995 |
| Physical Description | Clear colourless liquidFruity, fatty aroma with a cranberry note |
| Kovats Retention Index | 114311531151114111421164117611701165116914381452143714401462146014561443.41455.9 |
| 녹는점 | -49.15°C (estimate) |
| FEMA | 4387 | 2-PENTYLTHIOPHENE |
| 인화점 | 75°C |
| 저장 조건 | Keep in dark place,Inert atmosphere,Room temperature |
| 물리적 상태 | 투명한 액체 |
| 색상 | 무색~갈색 |
| 냄새 | 프로필렌 글리콜 중 1.00%. 지방이 많은 치킨 쿠데타 크랜베리 구운 헤이즐넛 옥수수 구운 보리 발효된 고기 피 묻은 |
| 향취 유형 | 지방이 많은 |
| 생물학적 소스 | synthetic |
| 용해도 | 물에 약간 용해됩니다. |
| JECFA Number | 2106 |
| BRN | 107941 |
| 주요 응용 | 향료 및 향 |
| 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(분배 계수) | 4.48 |
| EPA | Thiophene, 2-pentyl- (4861-58-9) |
화학적 성질
Clear, colorless liquid; blood, fried aroma.
안전 및 규제
| GHS 분류 | 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. |
|---|---|
| 규제 정보 | 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%) |
| 수질 위해 등급(WGK) | WGK 3 |
| TSCA 등재 상태 | TSCA listed |
| 운송 번호(UN) | 1993 |
| 관세 코드 | 38220090 |
| 위험 문구(R) | 10-20/21/22-36/37/38-22 |
| 위험 표시 | Xi,Xn |
| 안전 문구(S) | 16-23-26-36-35-3/9/49-43 |
| 포장분류 | III |
| 위험 참고 사항 | Harmful/Irritant |
용도
용도
It is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff. Also used as flavoring agent for food.