Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
HCID 89014생성일: 2026년 11월 4일
3-Cyclohexene-1-carbonitrile, 4-(4-methyl-3-penten-1-yl)-
Einecs 244-530-2 · 1-(4-Methyl-3-pentene)cyclohex-1-ene-4-nitrile · 4-(4-Methyl-3-pentenyl)-3-cyclohexene-1-carbonitrile · 4-(4-methyl-3-pentenyl)cyclohex-3-ene-1-carbonitrile · 3-Cyclohexene-1-carbonitrile, 4-(4-methyl-3-pentenyl)- · 3-Cyclohexene-1-carbonitrile, 4-(4-methyl-3-penten-1-yl)-
https://huagongshe.com/ko/chemical/89014
식별자 및 물리적 특성
| CAS No. | 21690-43-7 |
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| 분자식 | C13H19N |
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| 평균 분자량 | 189.3 g/mol |
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| 단동위원소 질량 | 189.15174961 g/mol |
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| SMILES | CC(C)=CCCC1=CCC(C#N)CC1 |
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| InChIKey | YLVMNUKZYAGOOK-UHFFFAOYSA-N |
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| PubChem CID | 89014 |
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| EC No. | 244-530-2 |
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| DTXSID | DTXSID90865009 |
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화학 및 물리적 성질
| XLogP | 3.2 |
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| 극성 표면적 | 23.8 |
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| 수소 결합 공여자 수 | 0 |
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| 수소 결합 수용자 수 | 1 |
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| 회전 가능 결합 수 | 3 |
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| 무거운 원자 수 | 14 |
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| 형식 전하 | 0 |
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| 복잡도 | 284 |
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| 향료 | Fragrance Ingredient (3-Cyclohexene-1-carbonitrile, 4-(4-methyl-3-pentenyl)-) -> IFRA transparency List |
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| 끓는 점 | 115-120 °C(Press: 1 Torr) |
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| 밀도 | 0.9191 g/cm3(Temp: 25 °C) |
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| EPA | 3-Cyclohexene-1-carbonitrile, 4-(4-methyl-3-pentenyl)- (21690-43-7) |
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안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 70.6% (89 of 126) of all reports.H411 (29.4%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P273, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 126 reports by companies from 2 notifications to the ECHA C&L Inventory. |
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| Hazard Classes and Categories | Aquatic Chronic 2 (29.4%) |
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| TSCA 등재 상태 | TSCA listed |
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