isobutyl butyrate (CAS No. 539-90-2) 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 butyrate is 539-90-2.
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 butyrate is identified by CAS 539-90-2, molecular formula C8H16O2 and molecular weight 144.12 g/mol. UNII 827NDQ0P0W; ChEBI 87683; InChIKey RGFNRWTWDWVHDD-UHFFFAOYSA-N. Boiling Point: 156.90 °C. @ 760.00 mm Hg; Boiling Point: 157-158 °C; Density: 0.858-0.863.
| CAS Registry Number | 539-90-2 |
|---|---|
| PubChem CID | 10885 |
| Molecular formula | C8H16O2 |
| Molecular weight | 144.12 g/mol |
| IUPAC name | 2-methylpropyl butanoate |
| InChIKey | RGFNRWTWDWVHDD-UHFFFAOYSA-N |
| UNII (FDA) | 827NDQ0P0W |
| ChEBI ID | CHEBI:87683 |
| FEMA number | 2187 |
| JECFA number | 158 |
| Molecular Weight | 144.21 |
|---|---|
| XLogP3 | 2.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 5 |
| Exact Mass | 144.115029749 |
| Monoisotopic Mass | 144.115029749 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Boiling Point | 156.90 °C. @ 760.00 mm Hg |
|---|---|
| Boiling Point | 157-158 °C |
| Density | 0.858-0.863 |
| LogP | 2.760 |
| Refractive Index | 1.402-1.405 |
| 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 (100%) |
|---|
H226 (100%): 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 butyrate; 539-90-2; 2-Methylpropyl butanoate; Isobutyl n-butyrate; Butanoic acid, 2-methylpropyl ester; Isobutyl butyrate (natural); EINECS 208-729-8; UNII-827NDQ0P0W; BRN 1747322; 827NDQ0P0W; iso-Butyl n-butyrate; AI3-11267; NSC-406938; ISOBUTYL BUTYRATE [FCC]; DTXSID8047557; CHEBI:87683
CAS 539-90-2; molecular formula C8H16O2; molecular weight 144.12 g/mol.
Isobutyl butyrate, 539-90-2, 2-Methylpropyl butanoate, Isobutyl n-butyrate, Butanoic acid, 2-methylpropyl ester, Isobutyl butyrate (natural).
Documented regulatory listings: EU Flavoring substances; FDA Substance added to food: FLAVORING AGENT OR ADJUVANT; Flavoring Agents.
Hazard statements reported: H226.
Boiling Point: 156.90 °C. @ 760.00 mm Hg; Boiling Point: 157-158 °C; Density: 0.858-0.863; LogP: 2.760.
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.
Supplier: Jinan Shenghe Chemical Co., Ltd. · Reply within one business day.