p-Methylphenyl 3-methylbutyrate (p-Cresyl isovalerate) (CAS 55066-56-3) — formula C12H16O2, molecular weight 192.12 g/mol.
| CAS Number | 55066-56-3 |
|---|---|
| Molecular Formula | C12H16O2 |
| Molecular Weight | 192.12 g/mol |
| Boiling Point | 103 °C (2 mm Hg) |
| LogP | 3.5 |
| Applications | Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, General Manufacturing Information: Butanoic acid, 3-methyl-, 4-methylphenyl ester: ACTIVE |
Documented applications: Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, General Manufacturing Information: Butanoic acid, 3-methyl-, 4-methylphenyl ester: ACTIVE.
p-Methylphenyl 3-methylbutyrate (p-Cresyl isovalerate) is a chemical compound with CAS registry number 55066-56-3 and molecular formula C12H16O2 (molecular weight 192.12 g/mol).
CAS number: 55066-56-3
Its molecular formula C12H16O2 comprises 12 C, 16 H, 2 O atoms.
Also known as: p-Methylphenyl 3-methylbutyrate (p-Cresyl isovalerate) · para-Cresyl isovalerate
The CAS registry number of p-Methylphenyl 3-methylbutyrate (p-Cresyl isovalerate) is 55066-56-3.
Molecular formula C12H16O2, molecular weight 192.12 g/mol.
It is also registered under: p-Methylphenyl 3-methylbutyrate (p-Cresyl isovalerate), para-Cresyl isovalerate.
Recorded applications: Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, General Manufacturing Information: Butanoic acid, 3-methyl-, 4-methylphenyl ester: ACTIVE.
Independent reference data for p-Methylphenyl 3-methylbutyrate (p-Cresyl isovalerate) (CAS 55066-56-3), compiled from public chemistry databases.
| CAS Registry Number | 55066-56-3 |
|---|---|
| PubChem CID | 62092 |
| Molecular formula | C12H16O2 |
| Molecular weight | 192.12 g/mol |
| IUPAC name | (4-methylphenyl) 3-methylbutanoate |
| InChIKey | MVDPTWHTUYDLTL-UHFFFAOYSA-N |
| UNII (FDA) | C8JG0XTQ0Z |
| ChEBI ID | CHEBI:179912 |
| FEMA number | 3387 |
| JECFA number | 702 |
| Molecular Weight | 192.25 |
|---|---|
| XLogP3 | 3.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 4 |
| Exact Mass | 192.115029749 |
| Monoisotopic Mass | 192.115029749 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 14 |
| Boiling Point | 103 °C (2 mm Hg) |
|---|---|
| Density | 0.977-0.987 |
| Refractive Index | 1.485-1489 |
55066-56-3; p-Cresyl isovalerate; p-Tolyl isovalerate; 4-Methylphenyl 3-methylbutanoate; Cresyl isovalerate, p-; p-tolyl 3-methylbutyrate; Tolyl isovalerate, P-; FEMA No. 3387; C8JG0XTQ0Z; Methylphenyl 3-methylbutyrate, p-; Butanoic acid, 3-methyl-, 4-methylphenyl ester; Tolyl 3-methylbutyrate, p-; Cresyl 3-methylbutanoate, p-; NSC 32511; DTXSID6047159; AI3-24274
| 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 | 59.3% (54 / 91) |
| GHS notification summary | 59.3% (54 / 91) |
|---|---|
| Reported hazard statements | H302 (39.6%) |
This chemical does not meet GHS hazard criteria for 59.3% (54 of 91) of all reports.
H302 (39.6%): Harmful if swallowed [Warning Acute toxicity, oral]
p-Methylphenyl 3-methylbutyrate (p-Cresyl isovalerate) is identified by CAS 55066-56-3, molecular formula C12H16O2 and molecular weight 192.12 g/mol. UNII C8JG0XTQ0Z; ChEBI 179912; InChIKey MVDPTWHTUYDLTL-UHFFFAOYSA-N. Boiling Point: 103 °C (2 mm Hg); Density: 0.977-0.987; Refractive Index: 1.485-1489.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: p-Methylphenyl 3-methylbutyrate (p-Cresyl isovalerate)