丁酸异戊酯，CAS 登记号 106-27-4，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；精细化学品。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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NATURAL ISOAMYL BUTYRATE · CAS 106-27-4 · C9H18O2. UNII 505AFM77VU. Boiling Point: 179.00 °C. @ 760.00 mm Hg; Boiling Point: 179 °C; Melting Point: -73.2 °C.
| CAS Registry Number | 106-27-4 |
|---|---|
| PubChem CID | 7795 |
| Molecular formula | C9H18O2 |
| IUPAC name | 3-methylbutyl butanoate |
| UNII (FDA) | 505AFM77VU |
| FEMA number | 2060 |
| JECFA number | 45 |
| Molecular Weight | 158.24 |
|---|---|
| XLogP3 | 2.6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 6 |
| Exact Mass | 158.130679813 |
| Monoisotopic Mass | 158.130679813 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Boiling Point | 179.00 °C. @ 760.00 mm Hg |
|---|---|
| Boiling Point | 179 °C |
| Melting Point | -73.2 °C |
| Solubility | 118 mg/L @ 25 °C (exp) |
| Density | 0.861 - 0.866 |
| LogP | 3.250 |
| Refractive Index | 1.409 - 1.414 |
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Fruit JECFA ADI: 0-3 mg/kg bw (1979) |
|---|
| Reported hazard statements | H226 (98.6%), H412 (94.3%) |
|---|
H226 (98.6%): Flammable liquid and vapor [Warning Flammable liquids]
H412 (94.3%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Isoamyl butyrate; Isopentyl butyrate; 106-27-4; 3-Methylbutyl butanoate; Butanoic acid, 3-methylbutyl ester; ISOPENTYL BUTANOATE; Isoamyl butanoate; 3-Methylbutyl butyrate; Butyric acid, isopentyl ester; Isoamyl-n-butyrate; Isopentyl alcohol, butyrate; FEMA No. 2060; 3-Methyl-1-butyl butanoate; DTXSID3042059; 505AFM77VU; NSC-6548
CAS 106-27-4; molecular formula C9H18O2; molecular weight — g/mol.
Isoamyl butyrate, Isopentyl butyrate, 106-27-4, 3-Methylbutyl butanoate, Butanoic acid, 3-methylbutyl ester, ISOPENTYL BUTANOATE.
Documented regulatory listings: EU Flavoring substances; FDA Substance added to food: FLAVORING AGENT OR ADJUVANT; Flavoring Agents.
Hazard statements reported: H226, H412.
Boiling Point: 179.00 °C. @ 760.00 mm Hg; Boiling Point: 179 °C; Melting Point: -73.2 °C; Solubility: 118 mg/L @ 25 °C (exp).
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.