Isopropyl 2-methylbutyrate (CAS 66576-71-4) — formula C8H16O2, molecular weight 144.12 g/mol; category organic chemicals.
| CAS Number | 66576-71-4 |
|---|---|
| Molecular Formula | C8H16O2 |
| Molecular Weight | 144.12 g/mol |
| Boiling Point | 140.00 to 144.00 °C. @ 727.00 mm Hg |
| LogP | 2.3 |
| Category | Organic Chemicals |
Isopropyl 2-methylbutyrate is a carbon-based organic compound with CAS registry number 66576-71-4 and molecular formula C8H16O2 (molecular weight 144.12 g/mol), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 66576-71-4
Its molecular formula C8H16O2 comprises 8 C, 16 H, 2 O atoms.
Also known as: Isopropyl 2-methylbutyrate · 2-甲基丁酸-1-甲基乙酯
Category: organic chemicals
The CAS registry number of Isopropyl 2-methylbutyrate is 66576-71-4.
Molecular formula C8H16O2, molecular weight 144.12 g/mol.
It is also registered under: Isopropyl 2-methylbutyrate, 2-甲基丁酸-1-甲基乙酯.
Category: Organic Chemicals.
Independent reference data for Isopropyl 2-methylbutyrate (CAS 66576-71-4), compiled from public chemistry databases.
| CAS Registry Number | 66576-71-4 |
|---|---|
| PubChem CID | 522214 |
| Molecular formula | C8H16O2 |
| Molecular weight | 144.12 g/mol |
| IUPAC name | propan-2-yl 2-methylbutanoate |
| InChIKey | DIRDKDDFAMNBNY-UHFFFAOYSA-N |
| UNII (FDA) | 3429OS9G6T |
| ChEBI ID | CHEBI:179936 |
| FEMA number | 3699 |
| JECFA number | 210 |
| Molecular Weight | 144.21 |
|---|---|
| XLogP3 | 2.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 4 |
| Exact Mass | 144.115029749 |
| Monoisotopic Mass | 144.115029749 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 10 |
| Boiling Point | 140.00 to 144.00 °C. @ 727.00 mm Hg |
|---|---|
| Boiling Point | 140 °C |
| Density | 0.847-0.855 |
| Refractive Index | 1.395-1.399 |
Isopropyl 2-methylbutyrate; Isopropyl 2-methylbutanoate; propan-2-yl 2-methylbutanoate; Butanoic acid, 2-methyl-, 1-methylethyl ester; FEMA No. 3699; EINECS 266-411-4; UNII-3429OS9G6T; FEMA 3699; 3429OS9G6T; Isopropyl 2-methyIbutyrate; 2-Propyl 2-methylbutanoate; isopropyl 2-methyl butyrate; AI3-33626; 2-METHYLBUTANOIC ACID 1-METHYLETHYL ESTER; ISOPROPYL 2-METHYLBUTYRATE [FHFI]; DTXSID3047550
| 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 |
|---|
| Reported hazard statements | H226 |
|---|
H226 (> 99.9%): 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)
Isopropyl 2-methylbutyrate is identified by CAS 66576-71-4, molecular formula C8H16O2 and molecular weight 144.12 g/mol. UNII 3429OS9G6T; ChEBI 179936; InChIKey DIRDKDDFAMNBNY-UHFFFAOYSA-N. Boiling Point: 140.00 to 144.00 °C. @ 727.00 mm Hg; Boiling Point: 140 °C; Density: 0.847-0.855.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 2-甲基丁酸-1-甲基乙酯