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beta-Selinene , CAS No.17066-67-0
주문 가능
Storage
Room temperature
Why this grade
for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Storage & shipping
Room temperature Ships Check lot-specific COA for exact specifications.
Quality documents
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Literature proof
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications
보관 조건
Room temperature
이름과 식별자
| 정식 스마일 | CC(=C)C1CCC2(CCCC(=C)C2C1)C |
|---|---|
| IUPAC Name | (3S,4aR,8aS)-8a-methyl-5-methylidene-3-prop-1-en-2-yl-1,2,3,4,4a,6,7,8-octahydronaphthalene |
| InChIKey | YOVSPTNQHMDJAG-ZNMIVQPWSA-N |
| INCHI | 1S/C15H24/c1-11(2)13-7-9-15(4)8-5-6-12(3)14(15)10-13/h13-14H,1,3,5-10H2,2,4H3/t13-,14+,15-/m0/s1 |
| 이성체 SMILES | CC(=C)[C@H]1CC[C@@]2(CCCC(=C)[C@H]2C1)C |
| 대체 CAS | 17066-67-0 |
| PubChem CID | 28237 |
| MeSH 용어 | beta-selinene;beta-selinene, ((4aalpha,7alpha,8abeta)-(+-))-isomer;beta-selinene, (4aR-(4aalpha,7beta,8aalpha))-isomer;beta-selinene, (4aS-(4aalpha,7beta,8abeta))-isomer |
Documentation
📋 Safety Data Sheet (SDS)
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →✅ Certificate of Analysis (COA)
Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →🔬 Specification Sheet
Full quality attributes and acceptance criteria for this grade.
View spec sheet →Advanced Data
3D 구조
상호 작용 화학 구조 모델
인증서(CoA, COO, BSE/TSE 및 분석 차트)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
화학 및 물리적 특성
| 분자량 | 204.350 g/mol |
|---|---|
| XLogP3 | 5.400 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 1 |
| Exact Mass | 204.188 Da |
| Monoisotopic Mass | 204.188 Da |
| Topological Polar Surface Area | 0.000 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 286.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 3 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
참고 문헌
| 1. Yu Guofeng, Gao Yuan, Feng Yuan, Qin Yanchong, Li Tianxiao, Xu Chunping, Jia Xuewei, Gao Mingqi. (2026) Key aroma compounds in Chimonanthus praecox: molecular simulation screening and functional packaging application. FOOD SCIENCE AND BIOTECHNOLOGY, [PMID:] [10.1007/s10068-026-02269-8] |
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