3-phenylpropyl isobutyrate (CAS 103-58-2) — formula C13H18O2, molecular weight 206.13 g/mol; category organic chemicals.
3-phenylpropyl isobutyrate (CAS 103-58-2) is a organic chemicals. Its molecular formula C13H18O2 comprises 13 C, 18 H, 2 O atoms. Its molecular weight is about 206.13 g/mol. Reported physicochemical data: boiling point around 282.00 °C. @ 760.00 mm Hg, LogP about 3.6. 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 | 103-58-2 |
|---|---|
| Molecular Formula | C13H18O2 |
| Molecular Weight | 206.13 g/mol |
| Boiling Point | 282.00 °C. @ 760.00 mm Hg |
| LogP | 3.6 |
| 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 isobutyrate is a carbon-based organic compound with CAS registry number 103-58-2 and molecular formula C13H18O2 (molecular weight 206.13 g/mol), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 103-58-2
Its molecular formula C13H18O2 comprises 13 C, 18 H, 2 O atoms.
Also known as: 3-phenylpropyl isobutyrate · 异丁酸-3-苯基丙酯
Category: organic chemicals / food flavors
The CAS registry number of 3-phenylpropyl isobutyrate is 103-58-2.
Molecular formula C13H18O2, molecular weight 206.13 g/mol.
It is also registered under: 3-phenylpropyl isobutyrate, 异丁酸-3-苯基丙酯.
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 isobutyrate (CAS 103-58-2), compiled from public chemistry databases.
| CAS Number | 103-58-2 |
|---|---|
| PubChem CID | 7662 |
| Molecular Formula | C13H18O2 |
| Molecular Weight | 206.13 g/mol |
| IUPAC Name | 3-phenylpropyl 2-methylpropanoate |
| InChIKey | VBTAKMZSMFMLGT-UHFFFAOYSA-N |
| UNII (FDA) | Y9O48YFN18 |
| Molecular Weight | 206.28 |
|---|---|
| XLogP3 | 3.6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 6 |
| Exact Mass | 206.130679813 |
| Monoisotopic Mass | 206.130679813 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 15 |
| Boiling Point | 282.00 °C. @ 760.00 mm Hg |
|---|---|
| Boiling Point | 258 °C |
| Density | 0.975-0.981 |
| Refractive Index | 1.483-1.493 |
3-Phenylpropyl isobutyrate; 103-58-2; 3-Phenylpropyl 2-methylpropanoate; Hydrocinnamyl isobutyrate; 3-phenyl propyl isobutyrate; Hydrocinnamyl 2-methylpropanoate; ISOBUTYRIC ACID, 3-PHENYLPROPYL ESTER; FEMA No. 2893; Propanoic acid, 2-methyl-, 3-phenylpropyl ester; Y9O48YFN18; NSC-404455; DTXSID7059276; RefChem:504794; DTXCID2032764; 203-125-0; Phenylpropyl isobutyrate
| 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 notifications | 100% (235 / 235) |
| GHS notifications | 100% (235 / 235) |
|---|
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 异丁酸-3-苯基丙酯