P-cresyl isobutyrate (CAS 103-93-5) — formula C11H14O2, molecular weight 178.23; category organic chemicals.
| CAS Number | 103-93-5 |
|---|---|
| Molecular Formula | C11H14O2 |
| Molecular Weight | 178.23 |
| Boiling Point | 237 °C |
| LogP | 3.2 |
| Applications | Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, General Manufacturing Information: Propanoic acid, 2-methyl-, 4-methylphenyl ester: ACTIVE |
| Category | Organic Chemicals |
Documented applications: Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, General Manufacturing Information: Propanoic acid, 2-methyl-, 4-methylphenyl ester: ACTIVE.
P-cresyl isobutyrate is a carbon-based organic compound with CAS registry number 103-93-5 and molecular formula C11H14O2 (molecular weight 178.23), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 103-93-5
Its molecular formula C11H14O2 comprises 11 C, 14 H, 2 O atoms.
Also known as: P-cresyl isobutyrate · 异丁酸对甲苯酯 · p-Tolyl isobutyrate
Category: organic chemicals
The CAS registry number of P-cresyl isobutyrate is 103-93-5.
Molecular formula C11H14O2, molecular weight 178.23.
It is also registered under: P-cresyl isobutyrate, 异丁酸对甲苯酯, p-Tolyl isobutyrate.
Recorded applications: Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, General Manufacturing Information: Propanoic acid, 2-methyl-, 4-methylphenyl ester: ACTIVE.
Category: Organic Chemicals.
Independent reference data for P-cresyl isobutyrate (CAS 103-93-5), compiled from public chemistry databases.
| CAS Registry Number | 103-93-5 |
|---|---|
| PubChem CID | 7685 |
| Molecular formula | C11H14O2 |
| Molecular weight | 178.10 g/mol |
| IUPAC name | (4-methylphenyl) 2-methylpropanoate |
| InChIKey | UPPSFGGDKACIKP-UHFFFAOYSA-N |
| UNII (FDA) | 8H719PT14T |
| ChEBI ID | CHEBI:173829 |
| FEMA number | 3075 |
| JECFA number | 701 |
| Molecular Weight | 178.23 |
|---|---|
| XLogP3 | 3.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| Exact Mass | 178.099379685 |
| Monoisotopic Mass | 178.099379685 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 13 |
| Boiling Point | 237 °C |
|---|---|
| Density | 0.990-0.997 |
| Refractive Index | 1.484-1.490 |
p-Tolyl isobutyrate; 103-93-5; p-Cresyl isobutyrate; 4-Methylphenyl 2-methylpropanoate; p-Methylphenyl isobutyrate; ISOBUTYRIC ACID, p-TOLYL ESTER; Propanoic acid, 2-methyl-, 4-methylphenyl ester; FEMA No. 3075; Cresyl isobutyrate, p-; p-tolyl 2-methylpropanoate; Tolyl 2-methylpropanoate, p-; BRN 2519560; Proapnoic acid, 2-methyl-, 4-methylphenyl ester; AI3-21545; Methylphenyl 2-methylpropanoate, p-; EINECS 203-159-6
| 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 notification summary | 100% (1555 / 1555) |
| GHS notification summary | 100% (1555 / 1555) |
|---|
This chemical does not meet GHS hazard criteria for 100% (1555 of 1555) of all reports.
Reported as not meeting GHS hazard criteria by 1555 of 1555 companies. For more detailed information, please visit ECHA C&L website.
p-Tolyl isobutyrate is identified by CAS 103-93-5, molecular formula C11H14O2 and molecular weight 178.10 g/mol. UNII 8H719PT14T; ChEBI 173829; InChIKey UPPSFGGDKACIKP-UHFFFAOYSA-N. Boiling Point: 237 °C; Density: 0.990-0.997; Refractive Index: 1.484-1.490.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 异丁酸对甲苯酯