异戊酸3-苯丙酯，CAS 登记号 5452-07-3，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；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-phenylpropyl isovalerate is identified by CAS 5452-07-3, molecular formula C14H20O2 and molecular weight 220.15 g/mol. UNII 9UT5Q9TKW9; ChEBI 191497; InChIKey LBNFCOMOXOWXCD-UHFFFAOYSA-N. Boiling Point: 280.00 to 285.00 °C. @ 760.00 mm Hg; Boiling Point: 280 °C; Density: 0.962-0.971.
| CAS Registry Number | 5452-07-3 |
|---|---|
| PubChem CID | 62578 |
| Molecular formula | C14H20O2 |
| Molecular weight | 220.15 g/mol |
| IUPAC name | 3-phenylpropyl 3-methylbutanoate |
| InChIKey | LBNFCOMOXOWXCD-UHFFFAOYSA-N |
| UNII (FDA) | 9UT5Q9TKW9 |
| ChEBI ID | CHEBI:191497 |
| FEMA number | 2899 |
| JECFA number | 641 |
| Molecular Weight | 220.31 |
|---|---|
| XLogP3 | 3.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 7 |
| Exact Mass | 220.146329876 |
| Monoisotopic Mass | 220.146329876 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Boiling Point | 280.00 to 285.00 °C. @ 760.00 mm Hg |
|---|---|
| Boiling Point | 280 °C |
| Density | 0.962-0.971 |
| Refractive Index | 1.482-1.489 |
| 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 | 100% (2 / 2) |
| GHS notification summary | 100% (2 / 2) |
|---|
This chemical does not meet GHS hazard criteria for 100% (2 of 2) of all reports.
Reported as not meeting GHS hazard criteria by 2 of 2 companies. For more detailed information, please visit ECHA C&L website.
3-Phenylpropyl isovalerate; 3-Phenylpropyl 3-methylbutanoate; 5452-07-3; Hydrocinnamyl isovalerate; 3-Phenylpropyl isopentanoate; Butanoic acid, 3-methyl-, 3-phenylpropyl ester; 9UT5Q9TKW9; FEMA No. 2899; Hydrocinnamyl 3-methylbutanoate; NSC-21901; 3-Phenylpropyl isovalerianate; DTXSID50202931; EINECS 226-692-6; NSC 21901; Phenylpropyl 3-methylbutanoate, beta-; 3-PHENYLPROPYL ISOVALERATE [FHFI]
CAS 5452-07-3; molecular formula C14H20O2; molecular weight 220.15 g/mol.
3-Phenylpropyl isovalerate, 3-Phenylpropyl 3-methylbutanoate, 5452-07-3, Hydrocinnamyl isovalerate, 3-Phenylpropyl isopentanoate, Butanoic acid, 3-methyl-, 3-phenylpropyl ester.
Documented regulatory listings: EU Flavoring substances; FDA Substance added to food: FLAVORING AGENT OR ADJUVANT; Flavoring Agents.
100% of GHS notifications report no hazard classification (2 of 2).
Boiling Point: 280.00 to 285.00 °C. @ 760.00 mm Hg; Boiling Point: 280 °C; Density: 0.962-0.971; Refractive Index: 1.482-1.489.
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.