4-甲基戊酸甲酯，CAS 登记号 2412-80-8，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。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 4-甲基戊酸甲酯 的 CAS 号：2412-80-8，可与随货 COA 核对。
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Methyl 4-methylvalerate is identified by CAS 2412-80-8, molecular formula C7H14O2 and molecular weight 130.10 g/mol. UNII J4R2BY5GJT; ChEBI 179994; InChIKey KBCOVKHULBZKNY-UHFFFAOYSA-N. Boiling Point: 139.00 to 140.00 °C. @ 760.00 mm Hg; Boiling Point: 142-143 °C; Density: 0.885-0.892.
| CAS Registry Number | 2412-80-8 |
|---|---|
| PubChem CID | 17008 |
| Molecular formula | C7H14O2 |
| Molecular weight | 130.10 g/mol |
| IUPAC name | methyl 4-methylpentanoate |
| InChIKey | KBCOVKHULBZKNY-UHFFFAOYSA-N |
| UNII (FDA) | J4R2BY5GJT |
| ChEBI ID | CHEBI:179994 |
| FEMA number | 2721 |
| JECFA number | 216 |
| Molecular Weight | 130.18 |
|---|---|
| XLogP3 | 2.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 4 |
| Exact Mass | 130.099379685 |
| Monoisotopic Mass | 130.099379685 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Boiling Point | 139.00 to 140.00 °C. @ 760.00 mm Hg |
|---|---|
| Boiling Point | 142-143 °C |
| Density | 0.885-0.892 |
| Refractive Index | 1.402-1.406 |
| 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 | 0.1% (1 / 1414) |
| GHS notification summary | 0.1% (1 / 1414) |
|---|---|
| Reported hazard statements | H226 |
This chemical does not meet GHS hazard criteria for < 0.1% (1 of 1414) of reports.
H226 (> 99.9%): Flammable liquid and vapor [Warning Flammable liquids]
METHYL 4-METHYLPENTANOATE; Methyl 4-methylvalerate; 2412-80-8; Methyl isocaproate; Methyl isohexanoate; Methyl isobutylacetate; Pentanoic acid, 4-methyl-, methyl ester; Valeric acid, 4-methyl-, methyl ester; FEMA No. 2721; methyl 4-methyl valerate; J4R2BY5GJT; 4-methylpentanoic acid methyl ester; EINECS 219-320-9; DTXSID0062393; METHYL 4-METHYLVALERATE [FHFI]; Methyl isobutyl acetate
CAS 2412-80-8; molecular formula C7H14O2; molecular weight 130.10 g/mol.
METHYL 4-METHYLPENTANOATE, Methyl 4-methylvalerate, 2412-80-8, Methyl isocaproate, Methyl isohexanoate, Methyl isobutylacetate.
Documented regulatory listings: EU Flavoring substances; FDA Substance added to food: FLAVORING AGENT OR ADJUVANT; Flavoring Agents.
0.1% of GHS notifications report no hazard classification (1 of 1414).
Boiling Point: 139.00 to 140.00 °C. @ 760.00 mm Hg; Boiling Point: 142-143 °C; Density: 0.885-0.892; Refractive Index: 1.402-1.406.
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.