水合桧烯(CAS 546-79-2):分子式 C10H18O、分子量 154.25。
| CAS号 | 546-79-2 |
|---|---|
| 分子式 | C10H18O |
| 分子量 | 154.25 |
| 沸点 | trans 193-196 °C; cis 195-200 °C |
| LogP | 2.1 |
水合桧烯 是一种化工化合物,登记 CAS 号为 546-79-2,分子式 C10H18O(分子量 154.25)。
登记 CAS 号:546-79-2
其分子式 C10H18O 由 10 个碳、18 个氢、1 个氧 组成。
别名/同义词:水合桧烯 · 4-Thujanol
水合桧烯 的 CAS 登记号为 546-79-2。
分子式 C10H18O,分子量 154.25。
别名/同义词:水合桧烯、4-Thujanol。
水合桧烯(CAS 546-79-2)的独立参考数据,整理自公开化学数据库。
| CAS Registry Number | 546-79-2 |
|---|---|
| PubChem CID | 62367 |
| Molecular formula | C10H18O |
| Molecular weight | 154.14 g/mol |
| IUPAC name | 2-methyl-5-propan-2-ylbicyclo[3.1.0]hexan-2-ol |
| InChIKey | KXSDPILWMGFJMM-UHFFFAOYSA-N |
| UNII (FDA) | NS00013239 |
| ChEBI ID | CHEBI:16377 |
| FEMA number | 3239 |
| JECFA number | 441 |
| Molecular Weight | 154.25 |
|---|---|
| XLogP3 | 2.1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 1 |
| Exact Mass | 154.135765193 |
| Monoisotopic Mass | 154.135765193 |
| Topological Polar Surface Area | 20.2 |
| Heavy Atom Count | 11 |
| Boiling Point | trans 193-196 °C; cis 195-200 °C |
|---|---|
| Refractive Index | trans, 1.443 (60 °C); cis, 1.449 (60 °C) |
Sabinenehydrate; 2-Methyl-5-(1-methylethyl)bicyclo(3.1.0)hexan-2-ol; 2-methyl-5-(1-methylethyl)bicyclo[3.1.0]hexan-2-ol; RefChem:910064; 208-911-7; Sabinene hydrate; 546-79-2; 4-Thujanol; 5-Isopropyl-2-methylbicyclo[3.1.0]hexan-2-ol; 2-methyl-5-propan-2-ylbicyclo[3.1.0]hexan-2-ol; (Z)-Sabinene hydrate; FEMA No. 3239; Bicyclo(3.1.0)hexan-2-ol, 2-methyl-5-(1-methylethyl)-; Bicyclo[3.1.0]hexan-2-ol, 2-methyl-5-(1-methylethyl)-; cis-Sabinene hydrate; 4-Thujanol (natural)
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Mint, Cool No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS notification summary | 78.3% (90 / 115) |
| GHS notification summary | 78.3% (90 / 115) |
|---|---|
| Reported hazard statements | H226 (21.7%) |
This chemical does not meet GHS hazard criteria for 78.3% (90 of 115) of all reports.
H226 (21.7%): Flammable liquid and vapor [Warning Flammable liquids]
4-Thujanol is identified by CAS 546-79-2, molecular formula C10H18O and molecular weight 154.14 g/mol. UNII NS00013239; ChEBI 16377; InChIKey KXSDPILWMGFJMM-UHFFFAOYSA-N. Boiling Point: trans 193-196 °C; cis 195-200 °C; Refractive Index: trans, 1.443 (60 °C); cis, 1.449 (60 °C).
数据来源:PubChem / Wikidata;与随货 COA 不一致时以 COA 为准。
English page: 4-Thujanol