正己醇（CAS 111-27-3）：分子式 C6H14O、分子量 102.17。
| CAS号 | 111-27-3 |
|---|---|
| 分子式 | C6H14O |
| 分子量 | 102.17 |
| 熔点 | -48.3 °F (USCG, 1999) |
| 沸点 | 314.8 °F at 760 mmHg (USCG, 1999) |
| LogP | 2 |
正己醇 是一种化工化合物，登记 CAS 号为 111-27-3，分子式 C6H14O（分子量 102.17）。
登记 CAS 号：111-27-3
其分子式 C6H14O 由 6 个碳、14 个氢、1 个氧 组成。
别名/同义词：正己醇 · Hexanol · 1-Hexanol (Hexyl alcohol)
正己醇 的 CAS 登记号为 111-27-3。
分子式 C6H14O，分子量 102.17。
别名/同义词：正己醇、Hexanol、1-Hexanol (Hexyl alcohol)。
正己醇（CAS 111-27-3）的独立参考数据，整理自公开化学数据库。
| CAS Registry Number | 111-27-3 |
|---|---|
| PubChem CID | 8103 |
| Molecular formula | C6H14O |
| Molecular weight | 102.10 g/mol |
| IUPAC name | hexan-1-ol |
| InChIKey | ZSIAUFGUXNUGDI-UHFFFAOYSA-N |
| UNII (FDA) | 6CP2QER8GS |
| ChEBI ID | CHEBI:87393 |
| FEMA number | 2567 |
| JECFA number | 91 |
| Molecular Weight | 102.17 |
|---|---|
| XLogP3 | 2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 4 |
| Exact Mass | 102.104465066 |
| Monoisotopic Mass | 102.104465066 |
| Topological Polar Surface Area | 20.2 |
| Heavy Atom Count | 7 |
| Boiling Point | 314.8 °F at 760 mmHg (USCG, 1999) |
|---|---|
| Boiling Point | 157 °C at 760 mm Hg |
| Boiling Point | 156.00 to 157.00 °C. @ 760.00 mm Hg |
| Boiling Point | 157 °C |
| Boiling Point | 157.2 °C @760 [mm Hg] |
| Melting Point | -48.3 °F (USCG, 1999) |
| Melting Point | -44.6 °C |
| Melting Point | -46.7 °C |
| Flash Point | 145 °F (USCG, 1999) |
| Flash Point | 73.9 °C (Open cup) |
1-Hexanol; Hexyl alcohol; Hexan-1-ol; 111-27-3; n-Hexanol; n-Hexyl alcohol; Amylcarbinol; 1-Hydroxyhexane; Caproyl alcohol; 1-Hexyl alcohol; Pentylcarbinol; n-Hexan-1-ol; Caproic alcohol; C6 alcohol; Alcohol(C6); EPAL 6
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Banana, Flower, Grass, Herb No safety concern at current levels of intake when used as a flavouring agent |
|---|
| Reported hazard statements | H302, H226 (34.3%), H312 (23.3%), H319 (35.5%), H315 |
|---|
H302: Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
1-Hexanol (Hexyl alcohol) is identified by CAS 111-27-3, molecular formula C6H14O and molecular weight 102.10 g/mol. UNII 6CP2QER8GS; ChEBI 87393; InChIKey ZSIAUFGUXNUGDI-UHFFFAOYSA-N. Boiling Point: 314.8 °F at 760 mmHg (USCG, 1999); Boiling Point: 157 °C at 760 mm Hg; Boiling Point: 156.00 to 157.00 °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: Hexanol