p-tolyl octanoate (CAS 59558-23-5) — formula C15H22O2, molecular weight 234.16 g/mol; category organic chemicals.
| CAS Number | 59558-23-5 |
|---|---|
| Molecular Formula | C15H22O2 |
| Molecular Weight | 234.16 g/mol |
| Boiling Point | 265 °C |
| LogP | 5 |
| Category | Organic Chemicals |
p-tolyl octanoate is a carbon-based organic compound with CAS registry number 59558-23-5 and molecular formula C15H22O2 (molecular weight 234.16 g/mol), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 59558-23-5
Its molecular formula C15H22O2 comprises 15 C, 22 H, 2 O atoms.
Also known as: p-tolyl octanoate · 正辛酸对甲苯酯
Category: organic chemicals
The CAS registry number of p-tolyl octanoate is 59558-23-5.
Molecular formula C15H22O2, molecular weight 234.16 g/mol.
It is also registered under: p-tolyl octanoate, 正辛酸对甲苯酯.
Category: Organic Chemicals.
Independent reference data for p-tolyl octanoate (CAS 59558-23-5), compiled from public chemistry databases.
| CAS Registry Number | 59558-23-5 |
|---|---|
| PubChem CID | 43046 |
| Molecular formula | C15H22O2 |
| Molecular weight | 234.16 g/mol |
| IUPAC name | (4-methylphenyl) octanoate |
| InChIKey | ALRYNTSLFYRKGF-UHFFFAOYSA-N |
| UNII (FDA) | 065NCY25ZE |
| ChEBI ID | CHEBI:196146 |
| FEMA number | 3733 |
| JECFA number | 703 |
| Molecular Weight | 234.33 |
|---|---|
| XLogP3 | 5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 8 |
| Exact Mass | 234.161979940 |
| Monoisotopic Mass | 234.161979940 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 17 |
| Boiling Point | 265 °C |
|---|---|
| Density | 0.952-0.960 |
| Refractive Index | 1.478-1.488 |
p-Tolyl octanoate; p-Cresyl octanoate; 4-Methylphenyl octanoate; p-Tolyl n-octanoate; p-Cresyl caprylate; n-Octanoic acid p-tolyl ester; Narcissin K; Octanoic acid, 4-methylphenyl ester; para-Tolyl octanoate; Methylphenyl octanoate, p-; Tolyl octanoate, P-; Cresyl octanoate, p-; FEMA No. 3733; EINECS 261-803-1; p-Cresyl capryrate; UNII-065NCY25ZE
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Savory No safety concern at current levels of intake when used as a flavouring agent |
|---|
| Reported hazard statements | H302 (100%) |
|---|
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
p-tolyl octanoate is identified by CAS 59558-23-5, molecular formula C15H22O2 and molecular weight 234.16 g/mol. UNII 065NCY25ZE; ChEBI 196146; InChIKey ALRYNTSLFYRKGF-UHFFFAOYSA-N. Boiling Point: 265 °C; Density: 0.952-0.960; Refractive Index: 1.478-1.488.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 正辛酸对甲苯酯