octyl isovalerate (CAS No. 7786-58-5) is supplied by Jinan Shenghe Chemical Co., Ltd. with a typical purity of 按批次COA提供(不公开发布). Main applications include Organic Chemicals；Flavors. Bulk quantities are available with COA; purity and packaging are subject to batch COA and order confirmation.
Organic Chemicals；Flavors
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The CAS number of octyl isovalerate is 7786-58-5.
Typical purity is 按批次COA提供(不公开发布), supplied in 按订单/批次确认(不公开发布), with COA provided.
Main applications include Organic Chemicals；Flavors.
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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).
| 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 |
| Formal Charge | 0 |
| 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 |
| 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; 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
CAS 7786-58-5; molecular formula C13H26O2; molecular weight 214.19 g/mol.
Octyl isovalerate, 7786-58-5, Octyl isopentanoate, Isovaleric acid, octyl ester, Octyl isovalerianate, Octyl 3-methylbutyrate.
Documented regulatory listings: EU Flavoring substances; FDA Substance added to food: FLAVORING AGENT OR ADJUVANT; Flavoring Agents.
100% of GHS notifications report no hazard classification (90 of 90).
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.
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.
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