octyl isovalerate (CAS 7786-58-5) — formula C13H26O2, molecular weight 214.19 g/mol; category organic chemicals.
octyl isovalerate (CAS 7786-58-5) 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 249.00 to 251.00 °C. @ 760.00 mm Hg, LogP about 4.7. 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 | 7786-58-5 |
|---|---|
| Molecular Formula | C13H26O2 |
| Molecular Weight | 214.19 g/mol |
| Boiling Point | 249.00 to 251.00 °C. @ 760.00 mm Hg |
| LogP | 4.7 |
| 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 isovalerate is a carbon-based organic compound with CAS registry number 7786-58-5 and molecular formula C13H26O2 (molecular weight 214.19 g/mol), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 7786-58-5
Its molecular formula C13H26O2 comprises 13 C, 26 H, 2 O atoms.
Also known as: octyl isovalerate · 异戊酸正辛酯
Category: organic chemicals / food flavors
The CAS registry number of octyl isovalerate is 7786-58-5.
Molecular formula C13H26O2, molecular weight 214.19 g/mol.
It is also registered under: octyl isovalerate, 异戊酸正辛酯.
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 isovalerate (CAS 7786-58-5), compiled from public chemistry databases.
| CAS Registry Number | 7786-58-5 |
|---|---|
| PubChem CID | 228769 |
| Molecular formula | C13H26O2 |
| Molecular weight | 214.19 g/mol |
| IUPAC name | octyl 3-methylbutanoate |
| InChIKey | FUBGRVHGQADOJI-UHFFFAOYSA-N |
| UNII (FDA) | TR83HG1KKX |
| ChEBI ID | CHEBI:180099 |
| FEMA number | 2814 |
| JECFA number | 200 |
| Molecular Weight | 214.34 |
|---|---|
| XLogP3 | 4.7 |
| 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 | 249.00 to 251.00 °C. @ 760.00 mm Hg |
|---|---|
| Boiling Point | 245 °C |
| Density | 0.86 (20 °C/20 °C) |
| Refractive Index | 1.418-1.420 |
Octyl isovalerate; 7786-58-5; Octyl isopentanoate; Isovaleric acid, octyl ester; Octyl isovalerianate; Octyl 3-methylbutyrate; Butanoic acid, 3-methyl-, octyl ester; ENT 30598; FEMA No. 2814; TR83HG1KKX; Octyl isovalerate (natural); EINECS 232-100-7; NSC 21891; NSC-21891; AI3-30598; DTXSID9064847
| Regulatory & Food Contact | 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 |
|---|---|
| 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 isovalerate is identified by CAS 7786-58-5, molecular formula C13H26O2 and molecular weight 214.19 g/mol. UNII TR83HG1KKX; ChEBI 180099; InChIKey FUBGRVHGQADOJI-UHFFFAOYSA-N. Boiling Point: 249.00 to 251.00 °C. @ 760.00 mm Hg; Boiling Point: 245 °C; Density: 0.86 (20 °C/20 °C).
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 异戊酸正辛酯