isobutyl heptanoate (CAS 7779-80-8) — formula C11H22O2, molecular weight 186.29; category organic chemicals.
| CAS Number | 7779-80-8 |
|---|---|
| Molecular Formula | C11H22O2 |
| Molecular Weight | 186.29 |
| Boiling Point | 95.00 to 97.00 °C. @ 12.00 mm Hg |
| LogP | 3.9 |
| Category | Organic Chemicals |
isobutyl heptanoate is a carbon-based organic compound with CAS registry number 7779-80-8 and molecular formula C11H22O2 (molecular weight 186.29), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 7779-80-8
Its molecular formula C11H22O2 comprises 11 C, 22 H, 2 O atoms.
Also known as: isobutyl heptanoate · 庚酸异丁酯
Category: organic chemicals
The CAS registry number of isobutyl heptanoate is 7779-80-8.
Molecular formula C11H22O2, molecular weight 186.29.
It is also registered under: isobutyl heptanoate, 庚酸异丁酯.
Category: Organic Chemicals.
Independent reference data for isobutyl heptanoate (CAS 7779-80-8), compiled from public chemistry databases.
| CAS Registry Number | 7779-80-8 |
|---|---|
| PubChem CID | 24516 |
| Molecular formula | C11H22O2 |
| IUPAC name | 2-methylpropyl heptanoate |
| UNII (FDA) | LJS6KH0B8M |
| FEMA number | 2200 |
| JECFA number | 172 |
| Molecular Weight | 186.29 |
|---|---|
| XLogP3 | 3.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 8 |
| Exact Mass | 186.161979940 |
| Monoisotopic Mass | 186.161979940 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 13 |
| Boiling Point | 95.00 to 97.00 °C. @ 12.00 mm Hg |
|---|---|
| Boiling Point | 209 °C |
| Density | 0.8593 (20 °C) |
| Refractive Index | 1.420-1.425 |
Isobutyl heptanoate; 7779-80-8; 2-Methylpropyl heptanoate; Heptanoic acid, 2-methylpropyl ester; Isobutyl heptylate; Isobutyl heptoate; HEPTANOIC ACID, ISOBUTYL ESTER; 2-Methyl-1-propyl heptanoate; FEMA No. 2200; LJS6KH0B8M; EINECS 231-940-1; BRN 1760201; AI3-33578; DTXSID8064806; ISOBUTYL HEPTANOATE [FHFI]; 1-02-00-00145 (Beilstein Handbook Reference)
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Green No safety concern at current levels of intake when used as a flavouring agent |
|---|
isobutyl heptanoate · CAS 7779-80-8 · C11H22O2. UNII LJS6KH0B8M. Boiling Point: 95.00 to 97.00 °C. @ 12.00 mm Hg; Boiling Point: 209 °C; Density: 0.8593 (20 °C).
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 庚酸异丁酯