4-异丙基环己-2-烯-1-酮（CAS 500-02-7）：分子式 C9H14O、分子量 138.21。
| CAS号 | 500-02-7 |
|---|---|
| 分子式 | C9H14O |
| 分子量 | 138.21 |
| 沸点 | 198 °C |
| LogP | 2 |
| 应用领域 | Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、General Manufacturing Information: 2-Cyclohexen-1-one、4-(1-methylethyl)-: ACTIVE |
登记用途：Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、General Manufacturing Information: 2-Cyclohexen-1-one、4-(1-methylethyl)-: ACTIVE。
4-异丙基环己-2-烯-1-酮 是一种化工化合物，登记 CAS 号为 500-02-7，分子式 C9H14O（分子量 138.21）。
登记 CAS 号：500-02-7
其分子式 C9H14O 由 9 个碳、14 个氢、1 个氧 组成。
别名/同义词：4-异丙基环己-2-烯-1-酮 · 4-Isopropyl-2-cyclohexenone
4-异丙基环己-2-烯-1-酮 的 CAS 登记号为 500-02-7。
分子式 C9H14O，分子量 138.21。
别名/同义词：4-异丙基环己-2-烯-1-酮、4-Isopropyl-2-cyclohexenone。
登记用途：Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、General Manufacturing Information: 2-Cyclohexen-1-one、4-(1-methylethyl)-: ACTIVE。
4-异丙基环己-2-烯-1-酮（CAS 500-02-7）的独立参考数据，整理自公开化学数据库。
| CAS Registry Number | 500-02-7 |
|---|---|
| PubChem CID | 92780 |
| Molecular formula | C9H14O |
| Molecular weight | 138.10 g/mol |
| IUPAC name | 4-propan-2-ylcyclohex-2-en-1-one |
| InChIKey | AANMVENRNJYEMK-UHFFFAOYSA-N |
| UNII (FDA) | 0U8E4W4GBB |
| ChEBI ID | CHEBI:229380 |
| FEMA number | 3939 |
| JECFA number | 1110 |
| Molecular Weight | 138.21 |
|---|---|
| XLogP3 | 2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 1 |
| Exact Mass | 138.104465066 |
| Monoisotopic Mass | 138.104465066 |
| Topological Polar Surface Area | 17.1 |
| Heavy Atom Count | 10 |
| Boiling Point | 198 °C |
|---|---|
| Density | 0.930-0.950 |
| Refractive Index | 1.481-1.490 |
4-Isopropyl-2-cyclohexenone; 500-02-7; Crypton; Cryptone; 2-Cyclohexen-1-one, 4-(1-methylethyl)-; 4-Isopropylcyclohex-2-en-1-one; 4-(1-Methylethyl)-2-cyclohexen-1-one; 4-propan-2-ylcyclohex-2-en-1-one; 2-Cyclohexen-1-one, 4-isopropyl-; 4-iso-Propyl-2-cyclohexenone; 0U8E4W4GBB; NSC 22060; DL-KRYPTONE; EINECS 207-898-5; NSC-22060; FEMA NO. 3939
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Spice ISOPROPYL-2-CYCLOHEXENONE |
|---|
| Reported hazard statements | H301, H311, H315 (100%), H319 (100%) |
|---|
H301 (> 99.9%): Toxic if swallowed [Danger Acute toxicity, oral]
H311 (> 99.9%): Toxic in contact with skin [Danger Acute toxicity, dermal]
4-Isopropyl-2-cyclohexenone is identified by CAS 500-02-7, molecular formula C9H14O and molecular weight 138.10 g/mol. UNII 0U8E4W4GBB; ChEBI 229380; InChIKey AANMVENRNJYEMK-UHFFFAOYSA-N. Boiling Point: 198 °C; Density: 0.930-0.950; Refractive Index: 1.481-1.490.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: 4-Isopropyl-2-cyclohexenone