isobutyl octanoate (CAS 5461-06-3) — formula C12H24O2, molecular weight 200.32; category organic chemicals.
| CAS Number | 5461-06-3 |
|---|---|
| Molecular Formula | C12H24O2 |
| Molecular Weight | 200.32 |
| LogP | 4.4 |
| Applications | General Manufacturing Information: Octanoic acid, 2-methylpropyl ester: ACTIVE |
| Category | Organic Chemicals |
Documented applications: General Manufacturing Information: Octanoic acid, 2-methylpropyl ester: ACTIVE.
isobutyl octanoate is a carbon-based organic compound with CAS registry number 5461-06-3 and molecular formula C12H24O2 (molecular weight 200.32), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 5461-06-3
Its molecular formula C12H24O2 comprises 12 C, 24 H, 2 O atoms.
Also known as: isobutyl octanoate · 辛酸异丁酯
Category: organic chemicals
The CAS registry number of isobutyl octanoate is 5461-06-3.
Molecular formula C12H24O2, molecular weight 200.32.
It is also registered under: isobutyl octanoate, 辛酸异丁酯.
Recorded applications: General Manufacturing Information: Octanoic acid, 2-methylpropyl ester: ACTIVE.
Category: Organic Chemicals.
Independent reference data for isobutyl octanoate (CAS 5461-06-3), compiled from public chemistry databases.
| CAS Registry Number | 5461-06-3 |
|---|---|
| PubChem CID | 79582 |
| Molecular formula | C12H24O2 |
| IUPAC name | 2-methylpropyl octanoate |
| UNII (FDA) | 6GT8657GUF |
| Molecular Weight | 200.32 |
|---|---|
| XLogP3 | 4.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 9 |
| Exact Mass | 200.177630004 |
| Monoisotopic Mass | 200.177630004 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 14 |
Isobutyl octanoate; 2-methylpropyl octanoate; Isobutyl caprylate; n-Caprylic acid isobutyl ester; Octanoic acid, isobutyl ester; iso-Butyl caprylate; Octanoic acid, 2-methylpropyl ester; 6GT8657GUF; iso-Butyl n-octanoate; NSC-23943; Isobutyl caprylate (natural); UNII-6GT8657GUF; DTXSID3063916; EINECS 226-744-8; NSC 23943; AI3-31003
| Regulatory & Food Contact | EU Flavoring substances Flavoring Agents |
|---|---|
| GHS notification summary | 98.9% (89 / 90) |
| GHS notification summary | 98.9% (89 / 90) |
|---|
This chemical does not meet GHS hazard criteria for 98.9% (89 of 90) of all reports.
Reported as not meeting GHS hazard criteria by 89 of 90 companies (only 1.1% companies provided GHS information). For more detailed information, please visit ECHA C&L website.
isobutyl octanoate · CAS 5461-06-3 · C12H24O2. UNII 6GT8657GUF.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 辛酸异丁酯