3,5,5-Trimethylcyclohexanol(CAS 116-02-9):分子式 C9H18O、分子量 142.14 g/mol。
| CAS号 | 116-02-9 |
|---|---|
| 分子式 | C9H18O |
| 分子量 | 142.14 g/mol |
| 熔点 | 37.0 °C |
| 沸点 | 198 °C |
| LogP | 2.6 |
3,5,5-Trimethylcyclohexanol 是一种化工化合物,登记 CAS 号为 116-02-9,分子式 C9H18O(分子量 142.14 g/mol)。
登记 CAS 号:116-02-9
其分子式 C9H18O 由 9 个碳、18 个氢、1 个氧 组成。
别名/同义词:3,5,5-Trimethylcyclohexanol · 3,3,5-Trimethylcyclohexanol
3,5,5-Trimethylcyclohexanol 的 CAS 登记号为 116-02-9。
分子式 C9H18O,分子量 142.14 g/mol。
别名/同义词:3,5,5-Trimethylcyclohexanol、3,3,5-Trimethylcyclohexanol。
3,5,5-Trimethylcyclohexanol(CAS 116-02-9)的独立参考数据,整理自公开化学数据库。
| CAS Registry Number | 116-02-9 |
|---|---|
| PubChem CID | 8298 |
| Molecular formula | C9H18O |
| Molecular weight | 142.14 g/mol |
| IUPAC name | 3,3,5-trimethylcyclohexan-1-ol |
| InChIKey | BRRVXFOKWJKTGG-UHFFFAOYSA-N |
| UNII (FDA) | 08CL3G94GH |
| ChEBI ID | CHEBI:59065 |
| FEMA number | 3962 |
| JECFA number | 1099 |
| Molecular Weight | 142.24 |
|---|---|
| XLogP3 | 2.6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| Exact Mass | 142.135765193 |
| Monoisotopic Mass | 142.135765193 |
| Topological Polar Surface Area | 20.2 |
| Heavy Atom Count | 10 |
| Boiling Point | 198 °C |
|---|---|
| Boiling Point | 80.00 °C. @ 20.00 mm Hg |
| Boiling Point | 193-196 °C |
| Melting Point | 37.0 °C |
| Melting Point | 30.00 to 34.00 °C. @ 760.00 mm Hg |
| Flash Point | 73.9 °C |
| Flash Point | 165 °F OC |
| Density | 0.878 @ 40 °C/20 °C |
| Vapor Density | 4.9 (AIR= 1) |
| Vapor Pressure | 0.1 [mmHg] |
3,3,5-TRIMETHYLCYCLOHEXANOL; 116-02-9; Homomenthol; Cyclonol; Cyclohexanol, 3,3,5-trimethyl-; Isophorol, dihydro-; 1-Methyl-3-dimethylcyclohexanol-5; 3,3,5-Trimethyl-1-cyclohexanol; 3,5,5-Trimethylcyclohexanol; DTXSID9041815; 08CL3G94GH; DTXCID7021815; CHEBI:59065; NSC-4008; RefChem:485183; 204-122-7
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents Mint, Cool |
|---|
| Reported hazard statements | H315 (100%), H319 (97.5%), H412 (80.2%) |
|---|
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (97.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
3,5,5-Trimethylcyclohexanol is identified by CAS 116-02-9, molecular formula C9H18O and molecular weight 142.14 g/mol. UNII 08CL3G94GH; ChEBI 59065; InChIKey BRRVXFOKWJKTGG-UHFFFAOYSA-N. Boiling Point: 198 °C; Boiling Point: 80.00 °C. @ 20.00 mm Hg; Boiling Point: 193-196 °C.
数据来源:PubChem / Wikidata;与随货 COA 不一致时以 COA 为准。
English page: 3,5,5-Trimethylcyclohexanol