3-phenylpropyl isovalerate (CAS 5452-07-3) — formula C14H20O2, molecular weight 220.15 g/mol; category organic chemicals.
3-phenylpropyl isovalerate (CAS 5452-07-3) is a organic chemicals. Its molecular formula C14H20O2 comprises 14 C, 20 H, 2 O atoms. Its molecular weight is about 220.15 g/mol. Reported physicochemical data: boiling point around 280.00 to 285.00 °C. @ 760.00 mm Hg, LogP about 3.8. Organic chemicals are the largest family of carbon-based compounds, widely used across pharmaceuticals, agrochemicals, materials, cosmetics and food industries. Downstream uses span pharmaceutical ingredients, agrochemicals, dyes, solvents, surfactants, food additives and polymer materials. As a sourcing and distribution partner we help locate and compare this item across domestic and cross-border channels, arranging samples and batch orders with full COA and compliance files.
| CAS Number | 5452-07-3 |
|---|---|
| Molecular Formula | C14H20O2 |
| Molecular Weight | 220.15 g/mol |
| Boiling Point | 280.00 to 285.00 °C. @ 760.00 mm Hg |
| LogP | 3.8 |
| Packaging | 25/50kg woven bags, 20/25/50kg fibre drums, 200kg plastic drums, 1000kg IBC (subject to order confirmation) |
| Applications | agrochemicals, dyes, solvents, food additives and polymer materials. As a sourcing and distribution partner we can help locate and compare this item across domestic and cross-border channels, with COA and compliance files provided before ordering |
| Category | Organic Chemicals|Flavors |
Documented applications: agrochemicals, dyes, solvents, food additives and polymer materials. As a sourcing and distribution partner we can help locate and compare this item across domestic and cross-border channels, with COA and compliance files provided before ordering.
3-phenylpropyl isovalerate is a carbon-based organic compound with CAS registry number 5452-07-3 and molecular formula C14H20O2 (molecular weight 220.15 g/mol), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 5452-07-3
Its molecular formula C14H20O2 comprises 14 C, 20 H, 2 O atoms.
Also known as: 3-phenylpropyl isovalerate · 异戊酸3-苯丙酯
Category: organic chemicals / food flavors
The CAS registry number of 3-phenylpropyl isovalerate is 5452-07-3.
Molecular formula C14H20O2, molecular weight 220.15 g/mol.
It is also registered under: 3-phenylpropyl isovalerate, 异戊酸3-苯丙酯.
Recorded applications: agrochemicals, dyes, solvents, food additives and polymer materials. As a sourcing and distribution partner we can help locate and compare this item across domestic and cross-border channels, with COA and compliance files provided before ordering.
Category: Organic Chemicals / Flavors.
Packaging is agreed per order, from lab-scale packs to bulk, and confirmed with each order rather than fixed on the page. A Certificate of Analysis (COA) ships with every batch and MSDS is available; where the end use carries a regulatory limit (food contact, pharmaceutical or cosmetic), state the standard at enquiry and the grade is set against it.
Independent reference data for 3-phenylpropyl isovalerate (CAS 5452-07-3), compiled from public chemistry databases.
| 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 |
| 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 |
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]
| 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 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.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 异戊酸3-苯丙酯