isooctan-1-al (CAS 52738-99-5) — formula C8H16O, molecular weight 128.21; category organic chemicals.
| CAS Number | 52738-99-5 |
|---|---|
| Molecular Formula | C8H16O |
| Molecular Weight | 128.21 |
| Boiling Point | 162-163 °C |
| LogP | 2.6 |
| Category | Organic Chemicals |
isooctan-1-al is a carbon-based organic compound with CAS registry number 52738-99-5 and molecular formula C8H16O (molecular weight 128.21), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 52738-99-5
Its molecular formula C8H16O comprises 8 C, 16 H, 1 O atoms.
Also known as: isooctan-1-al · 1-异辛烷醇
Category: organic chemicals
The CAS registry number of isooctan-1-al is 52738-99-5.
Molecular formula C8H16O, molecular weight 128.21.
It is also registered under: isooctan-1-al, 1-异辛烷醇.
Category: Organic Chemicals.
Independent reference data for isooctan-1-al (CAS 52738-99-5), compiled from public chemistry databases.
| CAS 号 | 52738-99-5 |
|---|---|
| PubChem CID | 104307 |
| 分子式 | C8H16O |
| IUPAC 名称 | 6-methylheptanal |
| UNII（FDA） | F9U11Z3D65 |
| FEMA 编号 | 4498 |
| JECFA 编号 | 2174 |
| Molecular Weight | 128.21 |
|---|---|
| XLogP3 | 2.6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 5 |
| Exact Mass | 128.120115130 |
| Monoisotopic Mass | 128.120115130 |
| Topological Polar Surface Area | 17.1 |
| Heavy Atom Count | 9 |
| Boiling Point | 162-163 °C |
|---|---|
| Density | 0.806-0.816 |
| Refractive Index | 1.411-1.416 |
6-Methylheptanal; 63885-09-6; Isocaprylic aldehyde; 6-Methyl heptanal; Heptanal, 6-methyl-; FEMA No. 4498; F9U11Z3D65; DTXSID9068798; RefChem:1074086; DTXCID4041282; 613-393-4; Isooctan-1-al; Isooctanal; 52738-99-5; isooctane-ether; UNII-F9U11Z3D65
| 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 Citrus, Fruit No safety concern at current levels of intake when used as a flavouring agent |
|---|
| 已通报的危害声明 | H226 (34.9%), H315 (100%), H319 (99.2%) |
|---|
1-异辛烷醇 · CAS 52738-99-5 · C8H16O. UNII F9U11Z3D65. Boiling Point: 162-163 °C; Density: 0.806-0.816; Refractive Index: 1.411-1.416.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 1-异辛烷醇