本页收录 Methylbutyricacidcishexenylester，CAS 登记号为 53398-85-9，分子式 C11H20O2，分子量 184.27，归类于Organic Chemicals。作为主营产品之一，济南圣和化工有限公司 可提供从公斤级到吨级的稳定供货，随货附 COA 与质检资料。
| CAS号 | 53398-85-9 |
|---|---|
| 分子式 | C11H20O2 |
| 分子量 | 184.27 |
| 沸点 | 95.00 °C. @ 30.00 mm Hg |
| LogP | 3.3 |
| 纯度 | 按批次COA提供(不公开发布) |
| 包装 | 按订单/批次确认(不公开发布) |
| 应用领域 | Organic Chemicals |
| 类别 | Organic Chemicals |
Organic Chemicals
Methylbutyricacidcishexenylester在Organic Chemicals领域使用广泛。采购前请确认纯度等级与包装形式，以批次 COA 为验收依据。
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Methylbutyricacidcishexenylester 的 CAS 号为 53398-85-9。
常规纯度规格为 按批次COA提供(不公开发布)，包装为 按订单/批次确认(不公开发布)，随货提供 COA。
主要应用于Organic Chemicals。
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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.