2-methyloctanal (CAS 7786-29-0) — formula C9H18O, molecular weight 142.14 g/mol; category organic chemicals.
| CAS Number | 7786-29-0 |
|---|---|
| Molecular Formula | C9H18O |
| Molecular Weight | 142.14 g/mol |
| Boiling Point | 82.00 to 83.00 °C. @ 20.00 mm Hg |
| LogP | 3.3 |
| Applications | Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, General Manufacturing Information: Octanal, 2-methyl-: ACTIVE |
| Category | Organic Chemicals |
Documented applications: Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, General Manufacturing Information: Octanal, 2-methyl-: ACTIVE.
2-methyloctanal is a carbon-based organic compound with CAS registry number 7786-29-0 and molecular formula C9H18O (molecular weight 142.14 g/mol), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 7786-29-0
Its molecular formula C9H18O comprises 9 C, 18 H, 1 O atoms.
Also known as: 2-methyloctanal · [2-甲基辛醛 ]
Category: organic chemicals
The CAS registry number of 2-methyloctanal is 7786-29-0.
Molecular formula C9H18O, molecular weight 142.14 g/mol.
It is also registered under: 2-methyloctanal, [2-甲基辛醛 ].
Recorded applications: Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, General Manufacturing Information: Octanal, 2-methyl-: ACTIVE.
Category: Organic Chemicals.
Independent reference data for 2-methyloctanal (CAS 7786-29-0), compiled from public chemistry databases.
| CAS 号 | 7786-29-0 |
|---|---|
| PubChem CID | 24583 |
| 分子式 | C9H18O |
| 分子量 | 142.14 g/mol |
| IUPAC 名称 | 2-methyloctanal |
| InChIKey | ZKPFRIDJMMOODR-UHFFFAOYSA-N |
| UNII（FDA） | L193398KLN |
| ChEBI 编号 | CHEBI:179603 |
| FEMA 编号 | 2727 |
| JECFA 编号 | 270 |
| Molecular Weight | 142.24 |
|---|---|
| XLogP3 | 3.3 |
| 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 | 82.00 to 83.00 °C. @ 20.00 mm Hg |
|---|---|
| Boiling Point | 82-83 °C (20 mm Hg) |
| Density | 0.841 (0 °C) |
| Refractive Index | 1.423 (14 °C) |
2-Methyloctanal; 2-Methyloctanaldehyde; alpha-Methyloctanal; Methyl hexyl acetaldehyde; OCTANAL, 2-METHYL-; Methylhexylacetaldehyde; FEMA No. 2727; EINECS 232-093-0; UNII-L193398KLN; L193398KLN; .ALPHA.-METHYLOCTANAL; 2-METHYLOCTANAL [FHFI]; DTXSID2052528; RefChem:88351; (+-)-2-METHYLOCTANAL; DTXCID3031101
| 法规与食品接触 | 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 通报统计 | 0.8% (11 / 1375) |
| GHS 通报统计 | 0.8% (11 / 1375) |
|---|---|
| 已通报的危害声明 | H315 (99.2%), H412 (99.2%) |
[2-甲基辛醛 ] 的 CAS 号为 7786-29-0，分子式 C9H18O，分子量 142.14 g/mol。 UNII L193398KLN; ChEBI 179603; InChIKey ZKPFRIDJMMOODR-UHFFFAOYSA-N. Boiling Point: 82.00 to 83.00 °C. @ 20.00 mm Hg; Boiling Point: 82-83 °C (20 mm Hg); Density: 0.841 (0 °C).
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: [2-甲基辛醛 ]