isoamyl isobutyrate (CAS 2050-01-3) — formula C9H18O2, molecular weight 158.24; category organic chemicals.
| CAS Number | 2050-01-3 |
|---|---|
| Molecular Formula | C9H18O2 |
| Molecular Weight | 158.24 |
| Boiling Point | 168.00 to 171.00 °C. @ 760.00 mm Hg |
| LogP | 2.8 |
| Applications | Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, General Manufacturing Information: Propanoic acid, 2-methyl-, 3-methylbutyl ester: ACTIVE |
| Category | Organic Chemicals |
Documented applications: Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, General Manufacturing Information: Propanoic acid, 2-methyl-, 3-methylbutyl ester: ACTIVE.
isoamyl isobutyrate is a carbon-based organic compound with CAS registry number 2050-01-3 and molecular formula C9H18O2 (molecular weight 158.24), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 2050-01-3
Its molecular formula C9H18O2 comprises 9 C, 18 H, 2 O atoms.
Also known as: isoamyl isobutyrate · 异丁酸异戊酯
Category: organic chemicals
The CAS registry number of isoamyl isobutyrate is 2050-01-3.
Molecular formula C9H18O2, molecular weight 158.24.
It is also registered under: isoamyl isobutyrate, 异丁酸异戊酯.
Recorded applications: Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, General Manufacturing Information: Propanoic acid, 2-methyl-, 3-methylbutyl ester: ACTIVE.
Category: Organic Chemicals.
Independent reference data for isoamyl isobutyrate (CAS 2050-01-3), compiled from public chemistry databases.
| CAS Registry Number | 2050-01-3 |
|---|---|
| PubChem CID | 519786 |
| Molecular formula | C9H18O2 |
| IUPAC name | 3-methylbutyl 2-methylpropanoate |
| UNII (FDA) | RF0ZT103EG |
| FEMA number | 3507 |
| JECFA number | 49 |
| Molecular Weight | 158.24 |
|---|---|
| XLogP3 | 2.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 5 |
| Exact Mass | 158.130679813 |
| Monoisotopic Mass | 158.130679813 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 11 |
| Boiling Point | 168.00 to 171.00 °C. @ 760.00 mm Hg |
|---|
Isoamyl isobutyrate; Isopentyl isobutyrate; 2050-01-3; 3-Methylbutyl 2-methylpropanoate; Propanoic acid, 2-methyl-, 3-methylbutyl ester; 3-Methylbutyl isobutyrate; Isoamyl 2-methylpropanoate; Isobutyric acid, isopentyl ester; Isopentyl 2-methylpropanoate; 3-Methyl-1-butyl isobutyrate; Isopentyl alcohol, isobutyrate; RF0ZT103EG; FEMA No. 3507; DTXSID0062131; CHEBI:87537; RefChem:791549
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent No safety concern at current levels of intake when used as a flavouring agent TRS 868-JECFA 46/23 |
|---|
| Reported hazard statements | H226 (100%) |
|---|
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
isoamyl isobutyrate · CAS 2050-01-3 · C9H18O2. UNII RF0ZT103EG. Boiling Point: 168.00 to 171.00 °C. @ 760.00 mm Hg.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 异丁酸异戊酯