辛醇（CAS 111-87-5）：分子式 C8H18O、分子量 130.23。
| CAS号 | 111-87-5 |
|---|---|
| 分子式 | C8H18O |
| 分子量 | 130.23 |
| 熔点 | 5 °F (USCG, 1999) |
| 沸点 | 383 °F at 760 mmHg (USCG, 1999) |
| LogP | 3 |
辛醇 是一种化工化合物，登记 CAS 号为 111-87-5，分子式 C8H18O（分子量 130.23）。
登记 CAS 号：111-87-5
其分子式 C8H18O 由 8 个碳、18 个氢、1 个氧 组成。
别名/同义词：辛醇 · Octanol · C8 Alcohol
辛醇 的 CAS 登记号为 111-87-5。
分子式 C8H18O，分子量 130.23。
别名/同义词：辛醇、Octanol、C8 Alcohol。
辛醇（CAS 111-87-5）的独立参考数据，整理自公开化学数据库。
| CAS Registry Number | 111-87-5 |
|---|---|
| PubChem CID | 957 |
| Molecular formula | C8H18O |
| IUPAC name | octan-1-ol |
| UNII (FDA) | NV1779205D |
| FEMA number | 2800 |
| JECFA number | 97 |
| Molecular Weight | 130.23 |
|---|---|
| XLogP3 | 3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 6 |
| Exact Mass | 130.135765193 |
| Monoisotopic Mass | 130.135765193 |
| Topological Polar Surface Area | 20.2 |
| Heavy Atom Count | 9 |
| Boiling Point | 383 °F at 760 mmHg (USCG, 1999) |
|---|---|
| Boiling Point | 194.7 °C |
| Boiling Point | 194.00 to 196.00 °C. @ 760.00 mm Hg |
| Boiling Point | 194-195 °C |
| Boiling Point | 195 °C |
| Boiling Point | 194.5 °C @760 [mm Hg] |
| Melting Point | 5 °F (USCG, 1999) |
| Melting Point | -14.7 °C |
| Melting Point | -15.5 °C |
| Melting Point | -14.8 °C |
1-octanol; Octan-1-ol; 111-87-5; N-octanol; Octyl alcohol; caprylic alcohol; n-Octyl alcohol; Heptyl carbinol; 1-Hydroxyoctane; Alcohol C-8; Octilin; Primary octyl alcohol; n-Octan-1-ol; Dytol M-83; Alfol 8; Sipol L8
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT FDA Inventory of Food Contact Substances Listed in 21 CFR: FCS Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Bitter Almond, Burnt Matches, Fat, Floral |
|---|---|
| GHS notification summary | 0.2% (7 / 3216) |
| GHS notification summary | 0.2% (7 / 3216) |
|---|---|
| Reported hazard statements | H302, H312 (14.7%), H315 (23.7%), H319 (98.8%), H412 (15.1%), H227, H370, H371 |
This chemical does not meet GHS hazard criteria for 0.2% (7 of 3216) of reports.
H302+H312 (14.7%): Harmful if swallowed or in contact with skin [Warning Acute toxicity, oral; acute toxicity, dermal]
C8 Alcohol · CAS 111-87-5 · C8H18O. UNII NV1779205D. Boiling Point: 383 °F at 760 mmHg (USCG, 1999); Boiling Point: 194.7 °C; Boiling Point: 194.00 to 196.00 °C. @ 760.00 mm Hg.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: Octanol