龙涎香（CAS 6790-58-5）：分子式 C16H28O、分子量 236.39。
| CAS号 | 6790-58-5 |
|---|---|
| 分子式 | C16H28O |
| 分子量 | 236.39 |
| 熔点 | 75 - 76 °C |
| 沸点 | 120.00 to 121.00 °C. @ 1.40 mm Hg |
| LogP | 4.7 |
龙涎香 是一种化工化合物，登记 CAS 号为 6790-58-5，分子式 C16H28O（分子量 236.39）。
登记 CAS 号：6790-58-5
其分子式 C16H28O 由 16 个碳、28 个氢、1 个氧 组成。
别名/同义词：龙涎香 · Ambroxan · 1,5,5,9-Tetramethyl-13-oxatricyclo[8.3.0.0(4,9)]tridecane
龙涎香 的 CAS 登记号为 6790-58-5。
分子式 C16H28O，分子量 236.39。
别名/同义词：龙涎香、Ambroxan、1,5,5,9-Tetramethyl-13-oxatricyclo[8.3.0.0(4,9)]tridecane。
龙涎香（CAS 6790-58-5）的独立参考数据，整理自公开化学数据库。
| CAS Registry Number | 6790-58-5 |
|---|---|
| PubChem CID | 10857465 |
| Molecular formula | C16H28O |
| Molecular weight | 236.21 g/mol |
| IUPAC name | (3aR,5aS,9aS,9bR)-3a,6,6,9a-tetramethyl-2,4,5,5a,7,8,9,9b-octahydro-1H-benzo[e][1]benzofuran |
| InChIKey | YPZUZOLGGMJZJO-LQKXBSAESA-N |
| UNII (FDA) | TD34B3O8M9 |
| ChEBI ID | CHEBI:78307 |
| Molecular Weight | 236.39 |
|---|---|
| XLogP3 | 4.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| Exact Mass | 236.214015512 |
| Monoisotopic Mass | 236.214015512 |
| Topological Polar Surface Area | 9.2 |
| Heavy Atom Count | 17 |
(-)-Ambroxide; 6790-58-5; Ambroxide; Ambroxan; (-)-ambrox; DTXSID0047113; K60YJF1E9A; Ambroxide, (-)-; (3aR,5aS,9aS,9bR)-3a,6,6,9a-tetramethyldodecahydronaphtho[2,1-b]furan; TD34B3O8M9; AMBERMOX; AMBROFIX; ORCANOX; CHEBI:78307; AMBROXIDE [MI]; (3aR,5aS,9aS,9bR)-3a,6,6,9a-tetramethyl-2,4,5,5a,7,8,9,9b-octahydro-1H-benzo[e][1]benzofuran
| Regulatory & Food Contact | FDA Substance added to food: FLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT 1,5,5,9-TETRAMETHYL-13-OXATRICYCLO(8.3.0.0(4,9))TRIDECANE |
|---|---|
| GHS notification summary | 99.9% (1600 / 1601) |
| GHS notification summary | 99.9% (1600 / 1601) |
|---|
This chemical does not meet GHS hazard criteria for > 99.9% (1600 of 1601) of all reports.
Reported as not meeting GHS hazard criteria by 1600 of 1601 companies (only < 0.1% companies provided GHS information). For more detailed information, please visit ECHA C&L website.
1,5,5,9-Tetramethyl-13-oxatricyclo[8.3.0.0(4,9)]tridecane is identified by CAS 6790-58-5, molecular formula C16H28O and molecular weight 236.21 g/mol. UNII TD34B3O8M9; ChEBI 78307; InChIKey YPZUZOLGGMJZJO-LQKXBSAESA-N.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: Ambroxan