可可醛（CAS 35158-25-9）：分子式 C10H18O、分子量 154.25。
| CAS号 | 35158-25-9 |
|---|---|
| 分子式 | C10H18O |
| 分子量 | 154.25 |
| 沸点 | 189 °C |
| LogP | 2.9 |
| 应用领域 | Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、General Manufacturing Information: 2-Hexenal、5-methyl-2-(1-methylethyl)-: 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-Hexenal、5-methyl-2-(1-methylethyl)-: ACTIVE。
可可醛 是一种化工化合物，登记 CAS 号为 35158-25-9，分子式 C10H18O（分子量 154.25）。
登记 CAS 号：35158-25-9
其分子式 C10H18O 由 10 个碳、18 个氢、1 个氧 组成。
别名/同义词：可可醛 · 2-Isopropyl-5-methyl-2-hexenal
可可醛 的 CAS 登记号为 35158-25-9。
分子式 C10H18O，分子量 154.25。
别名/同义词：可可醛、2-Isopropyl-5-methyl-2-hexenal。
登记用途：Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、General Manufacturing Information: 2-Hexenal、5-methyl-2-(1-methylethyl)-: ACTIVE。
可可醛（CAS 35158-25-9）的独立参考数据，整理自公开化学数据库。
| CAS Registry Number | 35158-25-9 |
|---|---|
| PubChem CID | 37066 |
| Molecular formula | C10H18O |
| Molecular weight | 154.14 g/mol |
| IUPAC name | 5-methyl-2-propan-2-ylhex-2-enal |
| InChIKey | IOLQAHFPDADCHJ-UHFFFAOYSA-N |
| UNII (FDA) | 7F8Q5STQ11 |
| FEMA number | 3406 |
| JECFA number | 1215 |
| Molecular Weight | 154.25 |
|---|---|
| XLogP3 | 2.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 4 |
| Exact Mass | 154.135765193 |
| Monoisotopic Mass | 154.135765193 |
| Topological Polar Surface Area | 17.1 |
| Heavy Atom Count | 11 |
| Boiling Point | 189 °C |
|---|---|
| Density | 0.840-0.846 |
| Refractive Index | 1.448-1.454 |
35158-25-9; 2-Isopropyl-5-methyl-2-hexenal; 5-methyl-2-propan-2-ylhex-2-enal; 5-Methyl-2-isopropyl-2-hexenal; 2-Hexenal, 5-methyl-2-(1-methylethyl)-; 2-Isopropyl-5-methylhex-2-enal; FEMA No. 3406; 2-Hexenal, 2-isopropyl-5-methyl-; 2-Isopropyl-5-methyl-2-hexen-1-al; 7F8Q5STQ11; RefChem:87286; 252-406-4; (e)-2-isopropyl-5-methyl-2-hexenal; Pregabalin Impurity N48; Pregabalin Impurity 164; SCHEMBL459468
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Floral No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS notification summary | 0.1% (1 / 1450) |
| GHS notification summary | 0.1% (1 / 1450) |
|---|---|
| Reported hazard statements | H315 |
This chemical does not meet GHS hazard criteria for < 0.1% (1 of 1450) of reports.
H315 (> 99.9%): Causes skin irritation [Warning Skin corrosion/irritation]
2-Isopropyl-5-methyl-2-hexenal is identified by CAS 35158-25-9, molecular formula C10H18O and molecular weight 154.14 g/mol. UNII 7F8Q5STQ11; InChIKey IOLQAHFPDADCHJ-UHFFFAOYSA-N. Boiling Point: 189 °C; Density: 0.840-0.846; Refractive Index: 1.448-1.454.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: 2-Isopropyl-5-methyl-2-hexenal