1-甲基-2-氧代丙基丁酸酯，CAS 登记号 84642-61-5，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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Butan-3-one-2-yl butanoate is identified by CAS 84642-61-5, molecular formula C8H14O3 and molecular weight 158.09 g/mol. UNII SEN8DCI58L; ChEBI 173671; InChIKey LJDWJXUIGKSETE-UHFFFAOYSA-N. Boiling Point: 76 °C (11 mm Hg); Density: 0.972-0.992; Refractive Index: 1.408-1.429.
| CAS Registry Number | 84642-61-5 |
|---|---|
| PubChem CID | 529253 |
| Molecular formula | C8H14O3 |
| Molecular weight | 158.09 g/mol |
| IUPAC name | 3-oxobutan-2-yl butanoate |
| InChIKey | LJDWJXUIGKSETE-UHFFFAOYSA-N |
| UNII (FDA) | SEN8DCI58L |
| ChEBI ID | CHEBI:173671 |
| FEMA number | 3332 |
| JECFA number | 407 |
| Molecular Weight | 158.19 |
|---|---|
| XLogP3 | 1.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 5 |
| Exact Mass | 158.094294304 |
| Monoisotopic Mass | 158.094294304 |
| Topological Polar Surface Area | 43.4 |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Boiling Point | 76 °C (11 mm Hg) |
|---|---|
| Density | 0.972-0.992 |
| Refractive Index | 1.408-1.429 |
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Mouthfeel No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS notification summary | 100% (92 / 92) |
| GHS notification summary | 100% (92 / 92) |
|---|
This chemical does not meet GHS hazard criteria for 100% (92 of 92) of all reports.
Reported as not meeting GHS hazard criteria by 92 of 92 companies. For more detailed information, please visit ECHA C&L website.
1-Methyl-2-oxopropyl butyrate; Butan-3-one-2-yl butanoate; Acetoyl butyrate; 84642-61-5; 3-oxobutan-2-yl butanoate; 1-Methyl-2-oxopropyl butanoate; FEMA No. 3332; SEN8DCI58L; Butanoic acid, 1-methyl-2-oxopropyl ester; EINECS 283-438-7; Butan-3-one-2-yl butanoate (natural); DTXSID601305714; BUTAN-3-ONE-2-YL BUTANOATE [FCC]; BUTAN-3-ONE-2-YL BUTANOATE [FHFI]; RefChem:570567; DTXCID201735692
CAS 84642-61-5; molecular formula C8H14O3; molecular weight 158.09 g/mol.
1-Methyl-2-oxopropyl butyrate, Butan-3-one-2-yl butanoate, Acetoyl butyrate, 84642-61-5, 3-oxobutan-2-yl butanoate, 1-Methyl-2-oxopropyl butanoate.
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 (92 of 92).
Boiling Point: 76 °C (11 mm Hg); Density: 0.972-0.992; Refractive Index: 1.408-1.429.
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.