2- 甲基丁酸甲酯，CAS 登记号 868-57-5，由济南圣和化工有限公司现货供应，可提供纯度 按批次COA提供(不公开发布) 的规格，下游主要用于食用香精；有机化学品。支持样品与小批量试用，批量价格请联系我们获取，验收以批次 COA 为准。
食用香精；有机化学品
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本页已列出 2- 甲基丁酸甲酯 的 CAS 号：868-57-5，可与随货 COA 核对。
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methyl 2-methylbutyrate is identified by CAS 868-57-5, molecular formula C6H12O2 and molecular weight 116.08 g/mol. UNII OLG4D4939V; ChEBI 88538; InChIKey OCWLYWIFNDCWRZ-UHFFFAOYSA-N. Boiling Point: 115 °C; Density: 0.879-0.883; Refractive Index: 1.393-1.397.
| CAS Registry Number | 868-57-5 |
|---|---|
| PubChem CID | 13357 |
| Molecular formula | C6H12O2 |
| Molecular weight | 116.08 g/mol |
| IUPAC name | methyl 2-methylbutanoate |
| InChIKey | OCWLYWIFNDCWRZ-UHFFFAOYSA-N |
| UNII (FDA) | OLG4D4939V |
| ChEBI ID | CHEBI:88538 |
| FEMA number | 2719 |
| JECFA number | 205 |
| Molecular Weight | 116.16 |
|---|---|
| XLogP3 | 1.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| Exact Mass | 116.083729621 |
| Monoisotopic Mass | 116.083729621 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Boiling Point | 115 °C |
|---|---|
| Density | 0.879-0.883 |
| Refractive Index | 1.393-1.397 |
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Apple, Fruit, Green Apple, Strawberry No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS notification summary | 0.1% (1 / 1675) |
| GHS notification summary | 0.1% (1 / 1675) |
|---|---|
| Reported hazard statements | H225 (97.4%), H315 (97.3%), H319 (97%) |
This chemical does not meet GHS hazard criteria for < 0.1% (1 of 1675) of reports.
H225 (97.4%): Highly Flammable liquid and vapor [Danger Flammable liquids]
Methyl 2-methylbutyrate; 868-57-5; METHYL 2-METHYLBUTANOATE; Butanoic acid, 2-methyl-, methyl ester; Butyric acid, 2-methyl-, methyl ester; Methyl anteisovalerate; FEMA No. 2719; DTXSID1052587; 2-methylbutanoic acid methyl ester; Methyl alpha-methylbutyrate; Methyl alpha-methylbutanoate; Methyl .alpha.-methylbutyrate; Methyl .alpha.-methylbutanoate; OLG4D4939V; Methyl 2-methylbutyrate (natural); EINECS 212-778-0
CAS 868-57-5; molecular formula C6H12O2; molecular weight 116.08 g/mol.
Methyl 2-methylbutyrate, 868-57-5, METHYL 2-METHYLBUTANOATE, Butanoic acid, 2-methyl-, methyl ester, Butyric acid, 2-methyl-, methyl ester, Methyl anteisovalerate.
Documented regulatory listings: EU Flavoring substances; FDA Substance added to food: FLAVORING AGENT OR ADJUVANT; Flavoring Agents.
0.1% of GHS notifications report no hazard classification (1 of 1675).
Boiling Point: 115 °C; Density: 0.879-0.883; Refractive Index: 1.393-1.397.
Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.