丁酸，3-氧代-，2-甲基丙酯，CAS 登记号 7779-75-1，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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Butanoic acid, 3-oxo-, 2-methylpropyl ester · CAS 7779-75-1 · C8H14O3. UNII 5HI9DAL68Z. Boiling Point: 196.00 °C. @ 760.00 mm Hg; Boiling Point: 196 °C; 84.5 °C (11 mm Hg); Density: 0.97.
| CAS Registry Number | 7779-75-1 |
|---|---|
| PubChem CID | 522677 |
| Molecular formula | C8H14O3 |
| IUPAC name | 2-methylpropyl 3-oxobutanoate |
| UNII (FDA) | 5HI9DAL68Z |
| FEMA number | 2177 |
| JECFA number | 597 |
| Molecular Weight | 158.19 |
|---|---|
| XLogP3 | 1.2 |
| 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 | 196.00 °C. @ 760.00 mm Hg |
|---|---|
| Boiling Point | 196 °C; 84.5 °C (11 mm Hg) |
| Density | 0.97 |
| Refractive Index | 1.422-1.432 |
| 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 |
|---|---|
| GHS notification summary | 85.7% (12 / 14) |
| GHS notification summary | 85.7% (12 / 14) |
|---|---|
| Reported hazard statements | H315 (14.3%), H319 (14.3%) |
This chemical does not meet GHS hazard criteria for 85.7% (12 of 14) of all reports.
H315 (14.3%): Causes skin irritation [Warning Skin corrosion/irritation]
Isobutyl acetoacetate; Isobutyl 3-oxobutanoate; 2-Methylpropyl 3-oxobutanoate; Butanoic acid, 3-oxo-, 2-methylpropyl ester; Acetoacetic acid, isobutyl ester; Isobutyl 3-ketobutyrate; Isobutyl 3-ketobutanoate; 2-Methyl-1-propyl acetoacetate; 5HI9DAL68Z; FEMA No. 2177; UNII-5HI9DAL68Z; AI3-36524; EINECS 231-937-5; DTXSID3064805; ZYXNLVMBIHVDRH-UHFFFAOYSA-; ISOBUTYL ACETOACETATE [FHFI]
CAS 7779-75-1; molecular formula C8H14O3; molecular weight — g/mol.
Isobutyl acetoacetate, Isobutyl 3-oxobutanoate, 2-Methylpropyl 3-oxobutanoate, Butanoic acid, 3-oxo-, 2-methylpropyl ester, Acetoacetic acid, isobutyl ester, Isobutyl 3-ketobutyrate.
Documented regulatory listings: EU Flavoring substances; FDA Substance added to food: FLAVORING AGENT OR ADJUVANT; Flavoring Agents.
85.7% of GHS notifications report no hazard classification (12 of 14).
Boiling Point: 196.00 °C. @ 760.00 mm Hg; Boiling Point: 196 °C; 84.5 °C (11 mm Hg); Density: 0.97; Refractive Index: 1.422-1.432.
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.