Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
HCID 175381생성일: 2026년 11월 1일
Butanoic acid, 1-methyl-1-[(3S,5R,8S)-1,2,3,4,5,6,7,8-octahydro-3,8-dimethyl-5-azulenyl]ethyl ester
guaiyl butyrate · (3S)-1,2,3,4,5,6,7,8-Octahydro-α,α,3α,8α-tetramethyl-5α-azulenemethanol butanoate · 2-[(3S,5R,8S)-3,8-dimethyl-1,2,3,4,5,6,7,8-octahydroazulen-5-yl]propan-2-yl butanoate · Butanoic acid, 1-methyl-1-[(3S,5R,8S)-1,2,3,4,5,6,7,8-octahydro-3,8-dimethyl-5-azulenyl]ethyl ester · [3S-(3alpha,5alpha,8alpha)]-1-methyl-1-(1,2,3,4,5,6,7,8-octahydro-3,8-dimethylazulen-5-yl)ethyl butyrate · 1-methyl-1-(1,2,3, 4,5, 6, 7,8-octahydro-3,8-dimethyl-5-azulenyl)ethyl ester, [3S-(3.alpha.,5.alphaButanoic acid
https://huagongshe.com/ko/chemical/175381
식별자 및 물리적 특성
| CAS No. | 73003-91-5 |
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| 분자식 | C19H32O2 |
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| 평균 분자량 | 292.5 g/mol |
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| 단동위원소 질량 | 292.24023026 g/mol |
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| SMILES | CCCC(=O)OC(C)(C)[C@@H]1CC[C@H](C)C2=C(C1)[C@@H](C)CC2 |
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| InChIKey | FZRQHSNXHSRRMX-SOUVJXGZSA-N |
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| PubChem CID | 175381 |
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| EC No. | 277-213-2 |
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| DTXSID | DTXSID10888356 |
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화학 및 물리적 성질
| XLogP | 4.5 |
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| 극성 표면적 | 26.3 |
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| 수소 결합 공여자 수 | 0 |
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| 수소 결합 수용자 수 | 2 |
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| 회전 가능 결합 수 | 5 |
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| 무거운 원자 수 | 21 |
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| 형식 전하 | 0 |
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| 복잡도 | 419 |
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| 용해도 | Insoluble in water, soluble in alcohol and oils. |
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| 색상 | Pale yellowish or almost colorless viscous oil. |
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| 냄새 | 100.00%에서. 장미 자두 동물 발사믹 우디 |
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| 향취 유형 | 발사믹 |
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| LogP(분배 계수) | 6.793 (est) |
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| EPA | Guaiyl butyrate (73003-91-5) |
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![Butanoic acid, 1-methyl-1-[(3S,5R,8S)-1,2,3,4,5,6,7,8-octahydro-3,8-dimethyl-5-azulenyl]ethyl ester 분자 구조식](/img/chemical/175381.png)