2-methylbutyl 3-methylbutenoate (CAS 97890-13-6) — formula C10H18O2, molecular weight 170.25; category organic chemicals.
| CAS Number | 97890-13-6 |
|---|---|
| Molecular Formula | C10H18O2 |
| Molecular Weight | 170.25 |
| Boiling Point | 57-60 °C (3.5 mm Hg) |
| LogP | 3.2 |
| Applications | Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index |
| Category | Organic Chemicals |
Documented applications: Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index.
2-methylbutyl 3-methylbutenoate is a carbon-based organic compound with CAS registry number 97890-13-6 and molecular formula C10H18O2 (molecular weight 170.25), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 97890-13-6
Its molecular formula C10H18O2 comprises 10 C, 18 H, 2 O atoms.
Also known as: 2-methylbutyl 3-methylbutenoate · 2-甲基丁基 3-甲基丁烯酸酯
Category: organic chemicals
The CAS registry number of 2-methylbutyl 3-methylbutenoate is 97890-13-6.
Molecular formula C10H18O2, molecular weight 170.25.
It is also registered under: 2-methylbutyl 3-methylbutenoate, 2-甲基丁基 3-甲基丁烯酸酯.
Recorded applications: Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index.
Category: Organic Chemicals.
Independent reference data for 2-methylbutyl 3-methylbutenoate (CAS 97890-13-6), compiled from public chemistry databases.
| CAS 号 | 97890-13-6 |
|---|---|
| PubChem CID | 113425 |
| 分子式 | C10H18O2 |
| IUPAC 名称 | 2-methylbutyl 3-methylbut-2-enoate |
| UNII（FDA） | X69H9499RF |
| FEMA 编号 | 4306 |
| JECFA 编号 | 1816 |
| Molecular Weight | 170.25 |
|---|---|
| XLogP3 | 3.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 5 |
| Exact Mass | 170.130679813 |
| Monoisotopic Mass | 170.130679813 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 12 |
| Boiling Point | 57-60 °C (3.5 mm Hg) |
|---|---|
| Density | 0.881-0.891 |
| Refractive Index | 1.451-1.461 |
2-methylbutyl 3-methylbut-2-enoate; 2-Methylbutyl 3-methyl-2-butenoate; 97890-13-6; UNII-X69H9499RF; X69H9499RF; EINECS 308-193-6; FEMA NO. 4306; DTXSID10869307; 2-Butenoic acid, 3-methyl-, 2-methylbutyl ester; 2-METHYLBUTYL 3-METHYL-2-BUTENOATE [FHFI]; RefChem:88273; DTXCID70817309; 2-Methylbutyl 3-methyl-2-senecioate; (+-)-2-METHYLBUTYL 3-METHYL-2-BUTENOATE; 2-METHYLBUTYL 3-METHYL-2-BUTENOATE, (+-)-; 308-193-6
| 法规与食品接触 | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Floral No safety concern at current levels of intake when used as a flavouring agent |
|---|
| 已通报的危害声明 | H315 (100%), H319 (100%), H335 (100%) |
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2-甲基丁基 3-甲基丁烯酸酯 · CAS 97890-13-6 · C10H18O2. UNII X69H9499RF. Boiling Point: 57-60 °C (3.5 mm Hg); Density: 0.881-0.891; Refractive Index: 1.451-1.461.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 2-甲基丁基 3-甲基丁烯酸酯