2-壬酮（CAS 821-55-6）：分子式 C9H18O、分子量 142.24。
| CAS号 | 821-55-6 |
|---|---|
| 分子式 | C9H18O |
| 分子量 | 142.24 |
| 熔点 | -5.8 °F (USCG, 1999) |
| 沸点 | 377.6 °F at 743 mmHg (USCG, 1999) |
| LogP | 3.1 |
| 应用领域 | Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、General Manufacturing Information: 2-Nonanone: ACTIVE |
登记用途：Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、General Manufacturing Information: 2-Nonanone: ACTIVE。
2-壬酮 是一种化工化合物，登记 CAS 号为 821-55-6，分子式 C9H18O（分子量 142.24）。
登记 CAS 号：821-55-6
其分子式 C9H18O 由 9 个碳、18 个氢、1 个氧 组成。
别名/同义词：2-壬酮 · 2-Nonanone
2-壬酮 的 CAS 登记号为 821-55-6。
分子式 C9H18O，分子量 142.24。
别名/同义词：2-壬酮、2-Nonanone。
登记用途：Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、General Manufacturing Information: 2-Nonanone: ACTIVE。
2-壬酮（CAS 821-55-6）的独立参考数据，整理自公开化学数据库。
| CAS Registry Number | 821-55-6 |
|---|---|
| PubChem CID | 13187 |
| Molecular formula | C9H18O |
| Molecular weight | 142.14 g/mol |
| IUPAC name | nonan-2-one |
| InChIKey | VKCYHJWLYTUGCC-UHFFFAOYSA-N |
| UNII (FDA) | ZE5K73YN2Z |
| ChEBI ID | CHEBI:77927 |
| FEMA number | 2785 |
| JECFA number | 292 |
| Molecular Weight | 142.24 |
|---|---|
| XLogP3 | 3.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 6 |
| Exact Mass | 142.135765193 |
| Monoisotopic Mass | 142.135765193 |
| Topological Polar Surface Area | 17.1 |
| Heavy Atom Count | 10 |
| Boiling Point | 377.6 °F at 743 mmHg (USCG, 1999) |
|---|---|
| Boiling Point | 192.00 °C. @ 743.00 mm Hg |
| Boiling Point | 195 °C |
| Boiling Point | 194 °C @760 [mm Hg] |
| Melting Point | -5.8 °F (USCG, 1999) |
| Melting Point | -15 °C |
| Melting Point | -9 °C |
| Flash Point | 148 °F (USCG, 1999) |
| Solubility | 0.371 mg/mL at 25 °C |
| Density | 0.817-0.823 |
2-NONANONE; Nonan-2-one; 821-55-6; Heptyl methyl ketone; Methyl heptyl ketone; beta-Nonanone; Ketone, heptyl methyl; METHYL N-HEPTYL KETONE; FEMA No. 2785; NSC 14760; DTXSID2022125; ZE5K73YN2Z; NSC-14760; DTXCID002125; CHEBI:77927; RefChem:88764
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Fragrant, Fruit, Green, Hot Milk No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS notification summary | 0.5% (9 / 1697) |
| GHS notification summary | 0.5% (9 / 1697) |
|---|---|
| Reported hazard statements | H315 (99.4%), H319 (76%) |
This chemical does not meet GHS hazard criteria for 0.5% (9 of 1697) of reports.
H315 (99.4%): Causes skin irritation [Warning Skin corrosion/irritation]
2-Nonanone is identified by CAS 821-55-6, molecular formula C9H18O and molecular weight 142.14 g/mol. UNII ZE5K73YN2Z; ChEBI 77927; InChIKey VKCYHJWLYTUGCC-UHFFFAOYSA-N. Boiling Point: 377.6 °F at 743 mmHg (USCG, 1999); Boiling Point: 192.00 °C. @ 743.00 mm Hg; Boiling Point: 195 °C.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: 2-Nonanone