3-methylbut-2-enyl isobutyrate (CAS 76649-23-5) — formula C9H16O2, molecular weight 156.22; category organic chemicals.
| CAS Number | 76649-23-5 |
|---|---|
| Molecular Formula | C9H16O2 |
| Molecular Weight | 156.22 |
| Boiling Point | 77-78 °C (15 mmHg) |
| LogP | 2.7 |
| Applications | Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, General Manufacturing Information: Propanoic acid, 2-methyl-, 3-methyl-2-buten-1-yl ester: ACTIVE |
| Category | Organic Chemicals |
Documented applications: Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, General Manufacturing Information: Propanoic acid, 2-methyl-, 3-methyl-2-buten-1-yl ester: ACTIVE.
3-methylbut-2-enyl isobutyrate is a carbon-based organic compound with CAS registry number 76649-23-5 and molecular formula C9H16O2 (molecular weight 156.22), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 76649-23-5
Its molecular formula C9H16O2 comprises 9 C, 16 H, 2 O atoms.
Also known as: 3-methylbut-2-enyl isobutyrate · 3-甲基丁-2-烯基异丁酸酯
Category: organic chemicals
The CAS registry number of 3-methylbut-2-enyl isobutyrate is 76649-23-5.
Molecular formula C9H16O2, molecular weight 156.22.
It is also registered under: 3-methylbut-2-enyl isobutyrate, 3-甲基丁-2-烯基异丁酸酯.
Recorded applications: Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, General Manufacturing Information: Propanoic acid, 2-methyl-, 3-methyl-2-buten-1-yl ester: ACTIVE.
Category: Organic Chemicals.
Independent reference data for 3-methylbut-2-enyl isobutyrate (CAS 76649-23-5), compiled from public chemistry databases.
| CAS Registry Number | 76649-23-5 |
|---|---|
| PubChem CID | 173535 |
| Molecular formula | C9H16O2 |
| IUPAC name | 3-methylbut-2-enyl 2-methylpropanoate |
| UNII (FDA) | 6W5A030WDT |
| FEMA number | 4206 |
| JECFA number | 1828 |
| Molecular Weight | 156.22 |
|---|---|
| XLogP3 | 2.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 4 |
| Exact Mass | 156.115029749 |
| Monoisotopic Mass | 156.115029749 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 11 |
| Boiling Point | 77-78 °C (15 mmHg) |
|---|---|
| Density | 0.887-0.896 |
| Refractive Index | 1.427-1.434 |
Prenyl isobutyrate; 3-Methylbut-2-enyl isobutyrate; Propanoic acid, 2-methyl-, 3-methyl-2-butenyl ester; UNII-6W5A030WDT; 6W5A030WDT; 3-methylbut-2-en-1-yl 2-methylpropanoate; Propanoic acid, 2-methyl-, 3-methyl-2-buten-1-yl ester; EINECS 278-516-2; DTXSID6072841; FEMA NO. 4206; PRENYL ISOBUTYRATE [FHFI]; ISOBUTYRIC ACID, 3-METHYL-2-BUTENYL ESTER; RefChem:175885; DTXCID0047909; YSJHMPXIMIOXGU-UHFFFAOYSA-N; 76649-23-5
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Fruit No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS notification summary | 100% (90 / 90) |
| GHS notification summary | 100% (90 / 90) |
|---|
This chemical does not meet GHS hazard criteria for 100% (90 of 90) of all reports.
Reported as not meeting GHS hazard criteria by 90 of 90 companies. For more detailed information, please visit ECHA C&L website.
3-methylbut-2-enyl isobutyrate · CAS 76649-23-5 · C9H16O2. UNII 6W5A030WDT. Boiling Point: 77-78 °C (15 mmHg); Density: 0.887-0.896; Refractive Index: 1.427-1.434.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 3-甲基丁-2-烯基异丁酸酯