Isobutyl 3-methylsulfanylbutanoate，CAS 登记号 127931-21-9，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Organic Chemicals。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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本页已列出 Isobutyl 3-methylsulfanylbutanoate 的 CAS 号：127931-21-9，可与随货 COA 核对。
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Isobutyl 3-methylsulfanylbutanoate · CAS 127931-21-9 · C9H18O2S. UNII 3JQI3X5245. Boiling Point: 93-96 °C; Density: 0.968-0.972; Refractive Index: 1.453-1.469.
| CAS Registry Number | 127931-21-9 |
|---|---|
| PubChem CID | 54281757 |
| Molecular formula | C9H18O2S |
| IUPAC name | 2-methylpropyl 3-methylsulfanylbutanoate |
| UNII (FDA) | 3JQI3X5245 |
| FEMA number | 4150 |
| JECFA number | 1677 |
| Molecular Weight | 190.31 |
|---|---|
| XLogP3 | 2.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 6 |
| Exact Mass | 190.10275099 |
| Monoisotopic Mass | 190.10275099 |
| Topological Polar Surface Area | 51.6 |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Boiling Point | 93-96 °C |
|---|---|
| Density | 0.968-0.972 |
| Refractive Index | 1.453-1.469 |
| Regulatory & Food Contact | FDA Substance added to food: FLAVORING AGENT OR ADJUVANT FLAVOURING_AGENT: Flavouring Agent Flavoring Agents Fruit No safety concern at current levels of intake when used as a flavouring agent TRS 947-JECFA68/ |
|---|
FEMA No. 4150; Isobutyl 3-(methylthio)butyrate; 2-Methylpropyl 3-(methylthio) butanoate; 3JQI3X5245; Butanoic acid, 3-(methylthio)-, 2-methylpropyl ester; 2-METHYLPROPYL 3-(METHYLTHIO)BUTANOATE; ISOBUTYL 3-METHYLTHIOBUTYRATE; RefChem:791600; (+\/-)-Isobutyl 3-methylthiobutyrate; Isobutyl 3-methylthiobutyrate, (+-)-; (+-)-ISOBUTYL 3-METHYLTHIOBUTYRATE; (+/-)-Isobutyl 3-methylthiobutyrate; 127931-21-9; 2-methylpropyl 3-methylsulfanylbutanoate; 2-methylpropyl 3-(methylsulfanyl)butanoate; UNII-3JQI3X5245
CAS 127931-21-9; molecular formula C9H18O2S; molecular weight — g/mol.
FEMA No. 4150, Isobutyl 3-(methylthio)butyrate, 2-Methylpropyl 3-(methylthio) butanoate, 3JQI3X5245, Butanoic acid, 3-(methylthio)-, 2-methylpropyl ester, 2-METHYLPROPYL 3-(METHYLTHIO)BUTANOATE.
Documented regulatory listings: FDA Substance added to food: FLAVORING AGENT OR ADJUVANT; FLAVOURING_AGENT: Flavouring Agent; Flavoring Agents.
Boiling Point: 93-96 °C; Density: 0.968-0.972; Refractive Index: 1.453-1.469.
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.