Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
HCID 97705생성일: 2026년 11월 3일
4-펜테노이산,2-아세틸-4-메틸-,에틸
4-펜테노이산,2-아세틸-4-메틸-,에틸 · Nsc29893 · ethyl 2-acetyl-4-methylpent-4-enoate · 4-Pentenoicacid,2-acetyl-4-methyl-,ethyl · 4-Pentensure, 2-Acetyl-4-methyl-, Ethylester · 2-acetyl-4-methyl-4-pentenoic acid ethyl ester · 4-Pentenoic acid, 2-acetyl-4-methyl-, ethyl ester
https://huagongshe.com/ko/chemical/97705
식별자 및 물리적 특성
| CAS No. | 20962-70-3 |
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| 분자식 | C10H16O3 |
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| 평균 분자량 | 184.23 g/mol |
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| 단동위원소 질량 | 184.10994437 g/mol |
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| SMILES | C=C(C)CC(C(C)=O)C(=O)OCC |
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| InChIKey | DVIFNSDZOSQUGX-UHFFFAOYSA-N |
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| PubChem CID | 97705 |
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| EC No. | 638-730-2 |
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| DTXSID | DTXSID1051482 |
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| 현지명 | 4-펜테노이산,2-아세틸-4-메틸-,에틸 |
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화학 및 물리적 성질
| XLogP | 2.3 |
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| 극성 표면적 | 43.4 |
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| 수소 결합 공여자 수 | 0 |
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| 수소 결합 수용자 수 | 3 |
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| 회전 가능 결합 수 | 6 |
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| 무거운 원자 수 | 13 |
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| 형식 전하 | 0 |
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| 복잡도 | 218 |
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| 향료 | Fragrance Ingredient (4-Pentenoic acid, 2-acetyl-4-methyl-, ethyl ester) -> IFRA transparency List |
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| 끓는 점 | 114-116 °C(Press: 20 Torr) |
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| 밀도 | 0.972±0.06 g/cm3(Predicted) |
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| pKa(산도 계수) | 11.39±0.59(Predicted) |
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| LogP(분배 계수) | 1.664 (est) |
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| EPA | 4-Pentenoic acid, 2-acetyl-4-methyl-, ethyl ester (20962-70-3) |
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안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 100% (24 of 24) of all reports.Not ClassifiedAggregated GHS information provided per 24 reports by companies from 1 notifications to the ECHA C&L Inventory. |
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| 규제 정보 | Chemical: 4-Pentenoic acid, 2-acetyl-4-methyl-, ethyl esterPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.4-Pentenoic acid, 2-acetyl-4-methyl-, ethyl ester: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
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| Hazard Classes and Categories | Not Classified |
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| TSCA 등재 상태 | TSCA listed |
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| 기존화학 물질 | 2010-3-4272 |
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