methyl 4-phenylbutyrate (CAS 2046-17-5) — formula C11H14O2, molecular weight 178.10 g/mol; category organic chemicals.
methyl 4-phenylbutyrate (CAS 2046-17-5) is a chemical raw material in the organic chemicals category. Its molecular formula C11H14O2 comprises 11 C, 14 H, 2 O atoms. Its molecular weight is about 178.10 g/mol. Reported physicochemical data: boiling point around 258.00 to 259.00 °C. @ 760.00 mm Hg, LogP about 2.77. 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 | 2046-17-5 |
|---|---|
| Molecular Formula | C11H14O2 |
| Molecular Weight | 178.10 g/mol |
| Boiling Point | 258.00 to 259.00 °C. @ 760.00 mm Hg |
| LogP | 2.77 |
| Packaging | 25/50kg woven bags, 20/25/50kg fibre drums, 200kg plastic drums, 1000kg IBC (subject to order confirmation) |
| Applications | 典型应用领域：食品增香, 日化。规格/纯度：以批次 COA 为准。包装：25/50kg 编织袋, 20/25/50kg 纸板桶, 200kg 塑料桶, 1000kg IBC（以订单确认为准）。储存：阴凉干燥, 密封保存 |
| Category | Organic Chemicals|Flavors |
Documented applications: 典型应用领域：食品增香, 日化。规格/纯度：以批次 COA 为准。包装：25/50kg 编织袋, 20/25/50kg 纸板桶, 200kg 塑料桶, 1000kg IBC（以订单确认为准）。储存：阴凉干燥, 密封保存.
methyl 4-phenylbutyrate is a carbon-based organic compound with CAS registry number 2046-17-5 and molecular formula C11H14O2 (molecular weight 178.10 g/mol), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 2046-17-5
Its molecular formula C11H14O2 comprises 11 C, 14 H, 2 O atoms.
Also known as: methyl 4-phenylbutyrate · 4-苯丁酸甲酯
Category: organic chemicals / food flavors
The CAS registry number of methyl 4-phenylbutyrate is 2046-17-5.
Molecular formula C11H14O2, molecular weight 178.10 g/mol.
It is also registered under: methyl 4-phenylbutyrate, 4-苯丁酸甲酯.
Recorded applications: 典型应用领域：食品增香, 日化。规格/纯度：以批次 COA 为准。包装：25/50kg 编织袋, 20/25/50kg 纸板桶, 200kg 塑料桶, 1000kg IBC（以订单确认为准）。储存：阴凉干燥, 密封保存.
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 methyl 4-phenylbutyrate (CAS 2046-17-5), compiled from public chemistry databases.
| CAS Number | 2046-17-5 |
|---|---|
| PubChem CID | 281254 |
| Molecular Formula | C11H14O2 |
| Molecular Weight | 178.10 g/mol |
| IUPAC Name | methyl 4-phenylbutanoate |
| InChIKey | YRYZGVBKMWFWGT-UHFFFAOYSA-N |
| UNII (FDA) | YMR11U800F |
| Molecular Weight | 178.23 |
|---|---|
| XLogP3 | 2.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 5 |
| Exact Mass | 178.099379685 |
| Monoisotopic Mass | 178.099379685 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 13 |
| Boiling Point | 258.00 to 259.00 °C. @ 760.00 mm Hg |
|---|---|
| Boiling Point | 149-151 °C (10 mm Hg) |
| Density | 0.996-1.002 |
| LogP | 2.77 |
| Refractive Index | 1.483-1.489 |
Methyl 4-phenylbutanoate; Methyl 4-phenylbutyrate; Benzenebutanoic acid, methyl ester; Methyl benzenebutanoate; Methyl gamma-phenylbutyrate; UNII-YMR11U800F; FEMA No. 2739; YMR11U800F; AI3-34132; EINECS 218-067-1; 4-Phenylbutanoic acid methyl ester; Methyl ester of benzenebutanoic acid; NSC 133895; NSC-133895; DTXSID90174421; METHYL .GAMMA.-PHENYLBUTYRATE
| Regulatory & food contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Floral No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS notifications | 100% (89 / 89) |
| GHS notifications | 100% (89 / 89) |
|---|
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 4-苯丁酸甲酯