Α-甲基苯丁醛（CAS 40654-82-8）：分子式 C11H14O、分子量 162.23。
| CAS号 | 40654-82-8 |
|---|---|
| 分子式 | C11H14O |
| 分子量 | 162.23 |
| 沸点 | 253.00 °C. @ 760.00 mm Hg |
| LogP | 2.5 |
| 应用领域 | Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、General Manufacturing Information: Benzenebutanal、.alpha.-methyl-: ACTIVE |
登记用途：Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、General Manufacturing Information: Benzenebutanal、.alpha.-methyl-: ACTIVE。
Α-甲基苯丁醛 是一种化工化合物，登记 CAS 号为 40654-82-8，分子式 C11H14O（分子量 162.23）。
登记 CAS 号：40654-82-8
其分子式 C11H14O 由 11 个碳、14 个氢、1 个氧 组成。
别名/同义词：Α-甲基苯丁醛 · 2-Methyl-4-phenylbutyraldehyde
Α-甲基苯丁醛 的 CAS 登记号为 40654-82-8。
分子式 C11H14O，分子量 162.23。
别名/同义词：Α-甲基苯丁醛、2-Methyl-4-phenylbutyraldehyde。
登记用途：Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、General Manufacturing Information: Benzenebutanal、.alpha.-methyl-: ACTIVE。
Α-甲基苯丁醛（CAS 40654-82-8）的独立参考数据，整理自公开化学数据库。
| CAS Registry Number | 40654-82-8 |
|---|---|
| PubChem CID | 62911 |
| Molecular formula | C11H14O |
| Molecular weight | 162.10 g/mol |
| IUPAC name | 2-methyl-4-phenylbutanal |
| InChIKey | RLFLIPVJQTWXKR-UHFFFAOYSA-N |
| UNII (FDA) | 1E564V2EQV |
| FEMA number | 2737 |
| JECFA number | 1462 |
| Molecular Weight | 162.23 |
|---|---|
| XLogP3 | 2.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 4 |
| Exact Mass | 162.104465066 |
| Monoisotopic Mass | 162.104465066 |
| Topological Polar Surface Area | 17.1 |
| Heavy Atom Count | 12 |
| Boiling Point | 253.00 °C. @ 760.00 mm Hg |
|---|---|
| Boiling Point | 253 °C |
| Density | 0.968-0975 |
| Refractive Index | 1.506-1.510 |
2-Methyl-4-phenylbutanal; 2-Methyl-4-phenylbutyraldehyde; alpha-Methylbenzenebutanal; Benzenebutanal, alpha-methyl-; 4-Phenyl-2-methylbutanal; FEMA No. 2737; Butyraldehyde, 2-methyl-4-phenyl-; Benzenebutanal, .alpha.-methyl-; EINECS 255-022-5; UNII-1E564V2EQV; 1E564V2EQV; DTXSID80866005; .ALPHA.-METHYLBENZENEBUTANAL; 2-METHYL-4-PHENYLBUTYRALDEHYDE [FHFI]; RefChem:88151; DTXCID60814347
| 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 | 12.2% (11 / 90) |
| GHS notification summary | 12.2% (11 / 90) |
|---|---|
| Reported hazard statements | H317 (85.6%) |
This chemical does not meet GHS hazard criteria for 12.2% (11 of 90) of reports.
H317 (85.6%): May cause an allergic skin reaction [Warning Sensitization, Skin]
2-Methyl-4-phenylbutyraldehyde is identified by CAS 40654-82-8, molecular formula C11H14O and molecular weight 162.10 g/mol. UNII 1E564V2EQV; InChIKey RLFLIPVJQTWXKR-UHFFFAOYSA-N. Boiling Point: 253.00 °C. @ 760.00 mm Hg; Boiling Point: 253 °C; Density: 0.968-0975.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: 2-Methyl-4-phenylbutyraldehyde