isobutyl isovalerate (CAS No. 589-59-3) 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 isobutyl isovalerate is 589-59-3.
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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isobutyl isovalerate is identified by CAS 589-59-3, molecular formula C9H18O2 and molecular weight 158.13 g/mol. UNII 6VCJ0UB168; ChEBI 89086; InChIKey KEBDNKNVCHQIJU-UHFFFAOYSA-N. Boiling Point: 168.50 °C. @ 760.00 mm Hg; Boiling Point: 170 °C; Density: 0.850-0.854.
| CAS Registry Number | 589-59-3 |
|---|---|
| PubChem CID | 11514 |
| Molecular formula | C9H18O2 |
| Molecular weight | 158.13 g/mol |
| IUPAC name | 2-methylpropyl 3-methylbutanoate |
| InChIKey | KEBDNKNVCHQIJU-UHFFFAOYSA-N |
| UNII (FDA) | 6VCJ0UB168 |
| ChEBI ID | CHEBI:89086 |
| FEMA number | 3369 |
| JECFA number | 203 |
| Molecular Weight | 158.24 |
|---|---|
| XLogP3 | 2.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 5 |
| Exact Mass | 158.130679813 |
| Monoisotopic Mass | 158.130679813 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Boiling Point | 168.50 °C. @ 760.00 mm Hg |
|---|---|
| Boiling Point | 170 °C |
| Density | 0.850-0.854 |
| Refractive Index | 1.404-1.408 |
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Fruit No safety concern at current levels of intake when used as a flavouring agent |
|---|
| Reported hazard statements | H226 |
|---|
H226 (> 99.9%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
ISOBUTYL ISOVALERATE; 2-Methylpropyl 3-methylbutanoate; Butanoic acid, 3-methyl-, 2-methylpropyl ester; 2-Methylpropyl 3-methylbutyrate; Isobutylisovalerate; Isobutyl isovalerate (natural); FEMA No. 3369; NSC 6993; 2-methylpropyl-3-methylbutyrate; EINECS 209-653-8; UNII-6VCJ0UB168; BRN 1702649; 6VCJ0UB168; AI3-33586; NSC-6993; DTXSID5060431
CAS 589-59-3; molecular formula C9H18O2; molecular weight 158.13 g/mol.
ISOBUTYL ISOVALERATE, 2-Methylpropyl 3-methylbutanoate, Butanoic acid, 3-methyl-, 2-methylpropyl ester, 2-Methylpropyl 3-methylbutyrate, Isobutylisovalerate, Isobutyl isovalerate (natural).
Documented regulatory listings: EU Flavoring substances; FDA Substance added to food: FLAVORING AGENT OR ADJUVANT; Flavoring Agents.
Hazard statements reported: H226.
Boiling Point: 168.50 °C. @ 760.00 mm Hg; Boiling Point: 170 °C; Density: 0.850-0.854; Refractive Index: 1.404-1.408.
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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