methyl 2-methylbutyrate (CAS 868-57-5) — formula C6H12O2, molecular weight 116.08 g/mol; category organic chemicals.
methyl 2-methylbutyrate (CAS 868-57-5) is a organic chemicals. Its molecular formula C6H12O2 comprises 6 C, 12 H, 2 O atoms. Its molecular weight is about 116.08 g/mol. Reported physicochemical data: boiling point around 115 °C, LogP about 1.5. Organic chemicals are the largest family of carbon-based compounds, widely used across pharmaceuticals, agrochemicals, materials, cosmetics and food industries. Downstream uses span pharmaceutical ingredients, agrochemicals, dyes, solvents, surfactants, food additives and polymer materials. As a sourcing and distribution partner we help locate and compare this item across domestic and cross-border channels, arranging samples and batch orders with full COA and compliance files.
| CAS Number | 868-57-5 |
|---|---|
| Molecular Formula | C6H12O2 |
| Molecular Weight | 116.08 g/mol |
| Boiling Point | 115 °C |
| LogP | 1.5 |
| Packaging | 25/50kg woven bags, 20/25/50kg fibre drums, 200kg plastic drums, 1000kg IBC (subject to order confirmation) |
| Applications | agrochemicals, dyes, solvents, food additives and polymer materials. As a sourcing and distribution partner we can help locate and compare this item across domestic and cross-border channels, with COA and compliance files provided before ordering |
| Category | Organic Chemicals|Flavors |
Documented applications: agrochemicals, dyes, solvents, food additives and polymer materials. As a sourcing and distribution partner we can help locate and compare this item across domestic and cross-border channels, with COA and compliance files provided before ordering.
methyl 2-methylbutyrate is a carbon-based organic compound with CAS registry number 868-57-5 and molecular formula C6H12O2 (molecular weight 116.08 g/mol), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 868-57-5
Its molecular formula C6H12O2 comprises 6 C, 12 H, 2 O atoms.
Also known as: methyl 2-methylbutyrate · 2- 甲基丁酸甲酯
Category: organic chemicals / food flavors
The CAS registry number of methyl 2-methylbutyrate is 868-57-5.
Molecular formula C6H12O2, molecular weight 116.08 g/mol.
It is also registered under: methyl 2-methylbutyrate, 2- 甲基丁酸甲酯.
Recorded applications: agrochemicals, dyes, solvents, food additives and polymer materials. As a sourcing and distribution partner we can help locate and compare this item across domestic and cross-border channels, with COA and compliance files provided before ordering.
Category: Organic Chemicals / Flavors.
Packaging is agreed per order, from lab-scale packs to bulk, and confirmed with each order rather than fixed on the page. A Certificate of Analysis (COA) ships with every batch and MSDS is available; where the end use carries a regulatory limit (food contact, pharmaceutical or cosmetic), state the standard at enquiry and the grade is set against it.
Independent reference data for methyl 2-methylbutyrate (CAS 868-57-5), compiled from public chemistry databases.
| 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 |
| Boiling Point | 115 °C |
|---|---|
| Density | 0.879-0.883 |
| Refractive Index | 1.393-1.397 |
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
| 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 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.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 2- 甲基丁酸甲酯