异丁酸丁酯，CAS 登记号 97-87-0，由济南圣和化工有限公司现货供应，可提供纯度 按批次COA提供(不公开发布) 的规格，下游主要用于食用香精；有机化学品。支持样品与小批量试用，批量价格请联系我们获取，验收以批次 COA 为准。
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butyl isobutyrate is identified by CAS 97-87-0, molecular formula C8H16O2 and molecular weight 144.12 g/mol. UNII PW9UJ5C0F3; ChEBI 179935; InChIKey JSLCOZYBKYHZNL-UHFFFAOYSA-N. Boiling Point: 156.00 to 158.00 °C. @ 760.00 mm Hg; Boiling Point: 166 °C; Melting Point: < 25 °C.
| CAS Registry Number | 97-87-0 |
|---|---|
| PubChem CID | 7353 |
| Molecular formula | C8H16O2 |
| Molecular weight | 144.12 g/mol |
| IUPAC name | butyl 2-methylpropanoate |
| InChIKey | JSLCOZYBKYHZNL-UHFFFAOYSA-N |
| UNII (FDA) | PW9UJ5C0F3 |
| ChEBI ID | CHEBI:179935 |
| FEMA number | 2188 |
| JECFA number | 188 |
| Molecular Weight | 144.21 |
|---|---|
| XLogP3 | 2.4 |
| 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 | 156.00 to 158.00 °C. @ 760.00 mm Hg |
|---|---|
| Boiling Point | 166 °C |
| Melting Point | < 25 °C |
| Density | 0.859-0.864 |
| Refractive Index | 1.401-1.404 |
| 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)
Butyl isobutyrate; 97-87-0; Butyl 2-methylpropanoate; Butyl isobutanoate; Propanoic acid, 2-methyl-, butyl ester; Isobutyric acid, butyl ester; n-Butyl isobutyrate; FEMA No. 2188; MFCD00048773; PW9UJ5C0F3; Isobutyric acid n-butyl ester; Butyl ester of 2-methylpropanoic acid; Butyl isobutyrate; n-Butyl isobutyrate; BUTYLISOBUTYRATE; Butyl isobutyrate (natural); Isobutyric Acid Butyl Ester
CAS 97-87-0; molecular formula C8H16O2; molecular weight 144.12 g/mol.
Butyl isobutyrate, 97-87-0, Butyl 2-methylpropanoate, Butyl isobutanoate, Propanoic acid, 2-methyl-, butyl ester, Isobutyric acid, butyl ester.
Documented regulatory listings: EU Flavoring substances; FDA Substance added to food: FLAVORING AGENT OR ADJUVANT; Flavoring Agents.
Hazard statements reported: H226.
Boiling Point: 156.00 to 158.00 °C. @ 760.00 mm Hg; Boiling Point: 166 °C; Melting Point: < 25 °C; Density: 0.859-0.864.
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.