甲基丁酸己烯酯，CAS 登记号 53398-85-9，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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3-Hexenyl 2-methylbutanoate is identified by CAS 53398-85-9, molecular formula C11H20O2 and molecular weight 184.15 g/mol. UNII N181NM2UXZ; ChEBI 172040; InChIKey JKKGTSUICJWEKB-SREVYHEPSA-N. Boiling Point: 95.00 °C. @ 30.00 mm Hg; Boiling Point: 212 °C; Density: 0.876-0.880.
| CAS Registry Number | 53398-85-9 |
|---|---|
| PubChem CID | 5365069 |
| Molecular formula | C11H20O2 |
| Molecular weight | 184.15 g/mol |
| IUPAC name | [(Z)-hex-3-enyl] 2-methylbutanoate |
| InChIKey | JKKGTSUICJWEKB-SREVYHEPSA-N |
| UNII (FDA) | N181NM2UXZ |
| ChEBI ID | CHEBI:172040 |
| FEMA number | 3497 |
| JECFA number | 211 |
| Molecular Weight | 184.27 |
|---|---|
| XLogP3 | 3.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 7 |
| Exact Mass | 184.146329876 |
| Monoisotopic Mass | 184.146329876 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Boiling Point | 95.00 °C. @ 30.00 mm Hg |
|---|---|
| Boiling Point | 212 °C |
| Density | 0.876-0.880 |
| Refractive Index | 1.428-1.434 |
| Regulatory & Food Contact | EU Flavoring substances Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Fruit No safety concern at current levels of intake when used as a flavouring agent TRS 884-JECFA 49/52 |
|---|---|
| GHS notification summary | 75.8% (141 / 186) |
| GHS notification summary | 75.8% (141 / 186) |
|---|---|
| Reported hazard statements | H411 (23.1%) |
This chemical does not meet GHS hazard criteria for 75.8% (141 of 186) of all reports.
H411 (23.1%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
53398-85-9; cis-3-Hexenyl 2-methylbutanoate; (Z)-3-Hexenyl 2-methylbutyrate; cis-3-Hexenyl 2-methylbutyrate; (Z)-Hex-3-enyl 2-methylbutyrate; (3Z)-hex-3-en-1-yl 2-methylbutanoate; FEMA No. 3497; Butanoic acid, 2-methyl-, (3Z)-3-hexenyl ester; N181NM2UXZ; 3-Hexenyl 2-methylbutyrate, (3Z)-; Hex-3-enyl 2-methylbutyrate; 3-Hexenyl 2-methylbutanoate; Butanoic acid, 2-methyl-, 3-hexenyl ester, (Z)-; Butanoic acid, 2-methyl-, (3Z)-3-hexen-1-yl ester; (Z)-3-Hexenyl 2-methylbutanoate; EINECS 233-224-4
CAS 53398-85-9; molecular formula C11H20O2; molecular weight 184.15 g/mol.
53398-85-9, cis-3-Hexenyl 2-methylbutanoate, (Z)-3-Hexenyl 2-methylbutyrate, cis-3-Hexenyl 2-methylbutyrate, (Z)-Hex-3-enyl 2-methylbutyrate, (3Z)-hex-3-en-1-yl 2-methylbutanoate.
Documented regulatory listings: EU Flavoring substances; Flavoring Agents; FLAVOURING_AGENT: Flavouring Agent.
75.8% of GHS notifications report no hazard classification (141 of 186).
Boiling Point: 95.00 °C. @ 30.00 mm Hg; Boiling Point: 212 °C; Density: 0.876-0.880; Refractive Index: 1.428-1.434.
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.