기본 정보
- CAS
73003-91-5- 표준 SMILES
CCCC(=O)OC(C)(C)[C@@H]1CC[C@H](C)C2=C(C1)[C@@H](C)CC2- InChIKey
FZRQHSNXHSRRMX-SOUVJXGZSA-N- 분자식
- C19H32O2
- 평균 분자량
- 292.5 g/mol
- 단동위원소 질량
- 292.24023026
개요
See other relationships...
이름 및 식별자
- 우선 이름
- Butanoic acid, 1-methyl-1-[(3S,5R,8S)-1,2,3,4,5,6,7,8-octahydro-3,8-dimethyl-5-azulenyl]ethyl ester
- IUPAC
- 2-[(3S,5R,8S)-3,8-dimethyl-1,2,3,4,5,6,7,8-octahydroazulen-5-yl]propan-2-yl butanoate
- 영어명
- [3S-(3alpha,5alpha,8alpha)]-1-methyl-1-(1,2,3,4,5,6,7,8-octahydro-3,8-dimethylazulen-5-yl)ethyl butyrate
- 분자식
- C19H32O2
- 분자량
- 292.46
이름 및 동의어
DTXSID10888356Butanoic acid, 1-methyl-1-((3S,5R,8S)-1,2,3,4,5,6,7,8-octahydro-3,8-dimethyl-5-azulenyl)ethyl esterButanoic acid, 1-methyl-1-[(3S,5R,8S)-1,2,3,4,5,6,7,8-octahydro-3,8-dimethyl-5-azulenyl]ethyl esterRefChem:571322DTXCID501027636Guaiyl butyrateGuaiol butyrate73003-91-52-[(3S,5R,8S)-3,8-dimethyl-1,2,3,4,5,6,7,8-octahydroazulen-5-yl]propan-2-yl butanoateBXX9GGI596UNII-BXX9GGI596EINECS 277-213-2
이름 더 보기
(3S)-1,2,3,4,5,6,7,8-Octahydro-α,α,3α,8α-tetramethyl-5α-azulenemethanol butanoate[3S-(3alpha,5alpha,8alpha)]-1-methyl-1-(1,2,3,4,5,6,7,8-octahydro-3,8-dimethylazulen-5-yl)ethyl butyrate1-methyl-1-(1,2,3, 4,5, 6, 7,8-octahydro-3,8-dimethyl-5-azulenyl)ethyl ester, [3S-(3.alpha.,5.alphaButanoic acid
SCHEMBL3503401FZRQHSNXHSRRMX-SOUVJXGZSA-NNS00121521Q27274950(3S-(3alpha,5alpha,8alpha))-1-Methyl-1-(1,2,3,4,5,6,7,8-octahydro-3,8-dimethylazulen-5-yl)ethyl butyrate2-((3S,5R,8S)-3,8- DIMETHYL-1,2,3,4,5,6,7,8-OCTAHYDROAZULEN-5-YL) PROPAN-2-YL BUTANOATE
물성
구조 계산 물성
- XLogP
- 4.5
- 극성 표면적
- 26.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 21
- 형식 전하
- 0
- 복잡도
- 419
물리화학적 성질
- 용해도
- Insoluble in water, soluble in alcohol and oils.
- 색상
- Pale yellowish or almost colorless viscous oil.
- 냄새
- 100 %에서 · 100.00%에서. 장미 자두 동물 발사믹 우디
- 냄새 유형
- 발사믹
- LogP
- 6.793 · 6.793 (est)
- EPA
- Guaiyl butyrate (73003-91-5)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- tsca
- TSCA listed
화학 및 산업
용도 및 제조
General Manufacturing InformationButanoic acid, 1-methyl-1-[(3S,5R,8S)-1,2,3,4,5,6,7,8-octahydro-3,8-dimethyl-5-azulenyl]ethyl ester: INACTIVE
공급사1 곳
上海问彩新材料科技有限公司15721586846 · [email protected]
추가 설명
정의The ester is very far from pure, normally about 80% ester content, and a certain amount of purely woody notes must be expected. The ester has found a little use in artificial Patchouli oil. In flavours, it could be used for the very heavy fruity types, such as Fig and Date, two flavours which are difficult to reproduce from pure chemicals.
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