2-庚醇（CAS 543-49-7）：分子式 C7H16O、分子量 116.20。
| CAS号 | 543-49-7 |
|---|---|
| 分子式 | C7H16O |
| 分子量 | 116.20 |
| 沸点 | 158-160 °C |
| LogP | 2.31 |
| 应用领域 | Uses: Found in oil of cloves、[Merck Index] Used as solvent for resins and a frothing agent for ore flotation、[Hawley]、Plastic Composites Manufacturing [Category: Industry]、Metal Extraction and Refining [Category: Industry]、Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、Industry Uses: Not Known or Reasonably Ascertainable、U.S. Production: 2023: 75、000 - <500、000 lb、2022: 1、000、000 - <8、500、2021: 500、000 - <1、2020: 75、General Manufacturing Information: All Other Basic Organic Chemical Manufacturing、2-Heptanol: ACTIVE |
登记用途：Uses: Found in oil of cloves、[Merck Index] Used as solvent for resins and a frothing agent for ore flotation、[Hawley]、Plastic Composites Manufacturing [Category: Industry]、Metal Extraction and Refining [Category: Industry]、Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、Industry Uses: Not Known or Reasonably Ascertainable、U.S. Production: 2023: 75、000 - <500、000 lb、2022: 1、000、000 - <8、500、2021: 500、000 - <1、2020: 75、General Manufacturing Information: All Other Basic Organic Chemical Manufacturing、2-Heptanol: ACTIVE。
2-庚醇 是一种化工化合物，登记 CAS 号为 543-49-7，分子式 C7H16O（分子量 116.20）。
登记 CAS 号：543-49-7
其分子式 C7H16O 由 7 个碳、16 个氢、1 个氧 组成。
别名/同义词：2-庚醇 · 2-heptanol
2-庚醇 的 CAS 登记号为 543-49-7。
分子式 C7H16O，分子量 116.20。
别名/同义词：2-庚醇、2-heptanol。
登记用途：Uses: Found in oil of cloves、[Merck Index] Used as solvent for resins and a frothing agent for ore flotation、[Hawley]、Plastic Composites Manufacturing [Category: Industry]、Metal Extraction and Refining [Category: Industry]、Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、Industry Uses: Not Known or Reasonably Ascertainable、U.S. Production: 2023: 75、000 - <500、000 lb、2022: 1、000、000 - <8、500、2021: 500、000 - <1、2020: 75、General Manufacturing Information: All Other Basic Organic Chemical Manufacturing、2-Heptanol: ACTIVE。
2-庚醇（CAS 543-49-7）的独立参考数据，整理自公开化学数据库。
| CAS Registry Number | 543-49-7 |
|---|---|
| PubChem CID | 10976 |
| Molecular formula | C7H16O |
| Molecular weight | 116.12 g/mol |
| IUPAC name | heptan-2-ol |
| InChIKey | CETWDUZRCINIHU-UHFFFAOYSA-N |
| UNII (FDA) | E12FIG07JK |
| ChEBI ID | CHEBI:88815 |
| FEMA number | 3288 |
| JECFA number | 284 |
| Molecular Weight | 116.20 |
|---|---|
| XLogP3 | 2.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 4 |
| Exact Mass | 116.120115130 |
| Monoisotopic Mass | 116.120115130 |
| Topological Polar Surface Area | 20.2 |
| Heavy Atom Count | 8 |
| Boiling Point | 158-160 °C |
|---|---|
| Boiling Point | 157-161 °C |
| Flash Point | 160 °F (NFPA, 2010) |
| Flash Point | 71 °C c.c. |
| Density | 0.817-0.819 (20 °C) |
| Vapor Pressure | 1.23 [mmHg] |
| LogP | 2.31 |
| Refractive Index | 1.421-1.422 |
2-HEPTANOL; Heptan-2-ol; 543-49-7; s-Heptyl alcohol; 2-Heptyl alcohol; 2-Hydroxyheptane; Amyl methyl carbinol; 1-Methylhexanol; Methyl amyl carbinol; Heptanol-2; Heptyl alcohol, sec-; 2-Heptanol (natural); FEMA No. 3288; NSC 2220; DTXSID1047158; EINECS 208-844-3
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Citrus, Earth, Fried, Mushroom, Oil No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS notification summary | 0.1% (2 / 1799) |
| GHS notification summary | 0.1% (2 / 1799) |
|---|---|
| Reported hazard statements | H226 (96.6%), H312 (99.8%), H315 (94.3%), H319 (97.6%) |
This chemical does not meet GHS hazard criteria for 0.1% (2 of 1799) of reports.
H226 (96.6%): Flammable liquid and vapor [Warning Flammable liquids]
2-heptanol is identified by CAS 543-49-7, molecular formula C7H16O and molecular weight 116.12 g/mol. UNII E12FIG07JK; ChEBI 88815; InChIKey CETWDUZRCINIHU-UHFFFAOYSA-N. Boiling Point: 158-160 °C; Boiling Point: 157-161 °C; Flash Point: 160 °F (NFPA, 2010).
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: 2-heptanol