2-Phenylpropyl isobutyrate (CAS 65813-53-8) — formula C13H18O2, molecular weight 206.28; category organic chemicals.
| CAS Number | 65813-53-8 |
|---|---|
| Molecular Formula | C13H18O2 |
| Molecular Weight | 206.28 |
| Boiling Point | 270.00 to 271.00 °C. @ 760.00 mm Hg |
| LogP | 3.4 |
| Applications | Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, General Manufacturing Information: Propanoic acid, 2-methyl-, 2-phenylpropyl ester: INACTIVE |
| Category | Organic Chemicals |
Documented applications: Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, General Manufacturing Information: Propanoic acid, 2-methyl-, 2-phenylpropyl ester: INACTIVE.
2-Phenylpropyl isobutyrate is a carbon-based organic compound with CAS registry number 65813-53-8 and molecular formula C13H18O2 (molecular weight 206.28), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 65813-53-8
Its molecular formula C13H18O2 comprises 13 C, 18 H, 2 O atoms.
Also known as: 2-Phenylpropyl isobutyrate · 异丁酸2-苯丙酯
Category: organic chemicals
The CAS registry number of 2-Phenylpropyl isobutyrate is 65813-53-8.
Molecular formula C13H18O2, molecular weight 206.28.
It is also registered under: 2-Phenylpropyl isobutyrate, 异丁酸2-苯丙酯.
Recorded applications: Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, General Manufacturing Information: Propanoic acid, 2-methyl-, 2-phenylpropyl ester: INACTIVE.
Category: Organic Chemicals.
Independent reference data for 2-Phenylpropyl isobutyrate (CAS 65813-53-8), compiled from public chemistry databases.
| CAS Registry Number | 65813-53-8 |
|---|---|
| PubChem CID | 576240 |
| Molecular formula | C13H18O2 |
| IUPAC name | 2-phenylpropyl 2-methylpropanoate |
| UNII (FDA) | 3H4JM1983E |
| FEMA number | 2892 |
| JECFA number | 1470 |
| Molecular Weight | 206.28 |
|---|---|
| XLogP3 | 3.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 5 |
| Exact Mass | 206.130679813 |
| Monoisotopic Mass | 206.130679813 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 15 |
| Boiling Point | 270.00 to 271.00 °C. @ 760.00 mm Hg |
|---|---|
| Boiling Point | 258 °C |
| Density | 0.971-0.977 |
| Refractive Index | 1.482-1.488 |
2-Phenylpropyl isobutyrate; 2-Phenylpropyl 2-methylpropanoate; Hydratropyl isobutyrate; Hydratropyl 2-methylpropanoate; FEMA No. 2892; Propanoic acid, 2-methyl-, 2-phenylpropyl ester; UNII-3H4JM1983E; beta-Methylphenethyl isobutyrate; 3H4JM1983E; EINECS 265-931-9; 2-Methyl-2-phenylethyl 2-methylpropanoate; LZTCJUAHYXNKRE-UHFFFAOYSA-; DTXSID30867183; .BETA.-METHYLPHENETHYL ISOBUTYRATE; 2-PHENYLPROPYL ISOBUTYRATE [FHFI]; 2-Phenylpropylisobutyrate
| 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% (90 / 90) |
| GHS notification summary | 100% (90 / 90) |
|---|
This chemical does not meet GHS hazard criteria for 100% (90 of 90) of all reports.
Reported as not meeting GHS hazard criteria by 90 of 90 companies. For more detailed information, please visit ECHA C&L website.
2-Phenylpropyl isobutyrate · CAS 65813-53-8 · C13H18O2. UNII 3H4JM1983E. Boiling Point: 270.00 to 271.00 °C. @ 760.00 mm Hg; Boiling Point: 258 °C; Density: 0.971-0.977.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 异丁酸2-苯丙酯