异戊烯醛（CAS 107-86-8）：分子式 C5H8O、分子量 84.12。
| CAS号 | 107-86-8 |
|---|---|
| 分子式 | C5H8O |
| 分子量 | 84.12 |
| 熔点 | -20 °C |
| 沸点 | 134 °C |
| LogP | 0.53 |
| 应用领域 | Uses: Used as a flavoring agent、[FDA] Used to make citral and other chemicals and for the reconstitution of essential oils and other natural products、[OECD SIDS: IUCLID Data Set]、Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、General Manufacturing Information: 2-Butenal、3-methyl-: ACTIVE |
登记用途：Uses: Used as a flavoring agent、[FDA] Used to make citral and other chemicals and for the reconstitution of essential oils and other natural products、[OECD SIDS: IUCLID Data Set]、Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、General Manufacturing Information: 2-Butenal、3-methyl-: ACTIVE。
异戊烯醛 是一种化工化合物，登记 CAS 号为 107-86-8，分子式 C5H8O（分子量 84.12）。
登记 CAS 号：107-86-8
其分子式 C5H8O 由 5 个碳、8 个氢、1 个氧 组成。
别名/同义词：异戊烯醛 · 3-methylcrotonaldehyde · 3-Methyl-2-butenal
异戊烯醛 的 CAS 登记号为 107-86-8。
分子式 C5H8O，分子量 84.12。
别名/同义词：异戊烯醛、3-methylcrotonaldehyde、3-Methyl-2-butenal。
登记用途：Uses: Used as a flavoring agent、[FDA] Used to make citral and other chemicals and for the reconstitution of essential oils and other natural products、[OECD SIDS: IUCLID Data Set]、Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、General Manufacturing Information: 2-Butenal、3-methyl-: ACTIVE。
异戊烯醛（CAS 107-86-8）的独立参考数据，整理自公开化学数据库。
| CAS Registry Number | 107-86-8 |
|---|---|
| PubChem CID | 61020 |
| Molecular formula | C5H8O |
| Molecular weight | 84.06 g/mol |
| IUPAC name | 3-methylbut-2-enal |
| InChIKey | SEPQTYODOKLVSB-UHFFFAOYSA-N |
| UNII (FDA) | 2JZ2B60W76 |
| ChEBI ID | CHEBI:15825 |
| FEMA number | 3646 |
| JECFA number | 1202 |
| Molecular Weight | 84.12 |
|---|---|
| XLogP3 | 1.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 1 |
| Exact Mass | 84.057514874 |
| Monoisotopic Mass | 84.057514874 |
| Topological Polar Surface Area | 17.1 |
| Heavy Atom Count | 6 |
| Boiling Point | 134 °C |
|---|---|
| Boiling Point | 136 °C |
| Boiling Point | 133-135 °C |
| Melting Point | -20 °C |
| Flash Point | 37 °C |
| Density | 0.9 g/cm³ |
| Density | 0.870-0.875 |
| Vapor Pressure | 5.6 [mmHg] |
| LogP | 0.53 |
| Autoignition Temperature | 145 °C |
3-Methyl-2-butenal; 3-Methylbut-2-enal; 107-86-8; Senecialdehyde; 3-Methylcrotonaldehyde; 3,3-Dimethylacrolein; Senecioaldehyde; 2-BUTENAL, 3-METHYL-; Crotonaldehyde, 3-methyl-; beta-Methylcrotonaldehyde; beta,beta-Dimethylacrolein; 3,3-Dimethyl-acrylaldehyde; beta,beta-Dimethylacrylic aldehyde; FEMA No. 3646; DTXSID8029606; 2JZ2B60W76
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Almond, Roasted No safety concern at current levels of intake when used as a flavouring agent |
|---|
| Reported hazard statements | H226 (100%), H302 (100%), H314 (99.7%), H317, H318 (89.1%), H331, H370, H372 |
|---|
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
3-Methyl-2-butenal is identified by CAS 107-86-8, molecular formula C5H8O and molecular weight 84.06 g/mol. UNII 2JZ2B60W76; ChEBI 15825; InChIKey SEPQTYODOKLVSB-UHFFFAOYSA-N. Boiling Point: 134 °C; Boiling Point: 136 °C; Boiling Point: 133-135 °C.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: 3-methylcrotonaldehyde