octyl 2-methylbutyrate (CAS 29811-50-5) — formula C13H26O2, molecular weight 214.19 g/mol; category organic chemicals.
octyl 2-methylbutyrate (CAS 29811-50-5) is a organic chemicals. Its molecular formula C13H26O2 comprises 13 C, 26 H, 2 O atoms. Its molecular weight is about 214.19 g/mol. Reported physicochemical data: boiling point around 250 °C, LogP about 4.9. 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 | 29811-50-5 |
|---|---|
| Molecular Formula | C13H26O2 |
| Molecular Weight | 214.19 g/mol |
| Boiling Point | 250 °C |
| LogP | 4.9 |
| 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.
octyl 2-methylbutyrate is a carbon-based organic compound with CAS registry number 29811-50-5 and molecular formula C13H26O2 (molecular weight 214.19 g/mol), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 29811-50-5
Its molecular formula C13H26O2 comprises 13 C, 26 H, 2 O atoms.
Also known as: octyl 2-methylbutyrate · 2-甲基丁酸辛酯
Category: organic chemicals / food flavors
The CAS registry number of octyl 2-methylbutyrate is 29811-50-5.
Molecular formula C13H26O2, molecular weight 214.19 g/mol.
It is also registered under: octyl 2-methylbutyrate, 2-甲基丁酸辛酯.
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 octyl 2-methylbutyrate (CAS 29811-50-5), compiled from public chemistry databases.
| CAS Registry Number | 29811-50-5 |
|---|---|
| PubChem CID | 520455 |
| Molecular formula | C13H26O2 |
| Molecular weight | 214.19 g/mol |
| IUPAC name | octyl 2-methylbutanoate |
| InChIKey | BCOJVEMHTBSAOE-UHFFFAOYSA-N |
| UNII (FDA) | GY247262WX |
| ChEBI ID | CHEBI:89870 |
| FEMA number | 3604 |
| JECFA number | 209 |
| Molecular Weight | 214.34 |
|---|---|
| XLogP3 | 4.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 10 |
| Exact Mass | 214.193280068 |
| Monoisotopic Mass | 214.193280068 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 15 |
| Boiling Point | 250 °C |
|---|---|
| Density | 0.8577 (20 °C/20 °C) |
| Refractive Index | 1.425 |
Octyl 2-methylbutyrate; Octyl 2-methylbutanoate; Butanoic acid, 2-methyl-, octyl ester; n-Octyl 2-methyl butyrate; Butyric acid, 2-methyl-, octyl ester; FEMA No. 3604; Ent 33625; UNII-GY247262WX; n-octyl 2-methylbutanoate; GY247262WX; EINECS 249-872-6; AI3-33625; OCTYL 2-METHYLBUTYRATE [FHFI]; RefChem:167864; (+-)-OCTYL 2-METHYLBUTYRATE; OCTYL 2-METHYLBUTYRATE, (+-)-
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Mouthfeel No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS notification summary | 100% (90 / 90) |
| GHS notification summary | 100% (90 / 90) |
|---|
This chemical does not meet GHS hazard criteria for 100% (90 of 90) of all reports.
Reported as not meeting GHS hazard criteria by 90 of 90 companies. For more detailed information, please visit ECHA C&L website.
octyl 2-methylbutyrate is identified by CAS 29811-50-5, molecular formula C13H26O2 and molecular weight 214.19 g/mol. UNII GY247262WX; ChEBI 89870; InChIKey BCOJVEMHTBSAOE-UHFFFAOYSA-N. Boiling Point: 250 °C; Density: 0.8577 (20 °C/20 °C); Refractive Index: 1.425.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 2-甲基丁酸辛酯