4-Isopropyl Benzoic Acid (CAS 536-66-3) — formula C10H12O2, molecular weight 164.20; category organic chemicals.
| CAS Number | 536-66-3 |
|---|---|
| Molecular Formula | C10H12O2 |
| Molecular Weight | 164.20 |
| Melting Point | 117 - 118 °C |
| LogP | 3.40 |
| Category | Organic Chemicals |
4-Isopropyl Benzoic Acid is a carbon-based organic compound with CAS registry number 536-66-3 and molecular formula C10H12O2 (molecular weight 164.20), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 536-66-3
Its molecular formula C10H12O2 comprises 10 C, 12 H, 2 O atoms.
Also known as: 4-Isopropyl Benzoic Acid · 4-异丙基苯甲酸
Category: organic chemicals
The CAS registry number of 4-Isopropyl Benzoic Acid is 536-66-3.
Molecular formula C10H12O2, molecular weight 164.20.
It is also registered under: 4-Isopropyl Benzoic Acid, 4-异丙基苯甲酸.
Category: Organic Chemicals.
Independent reference data for 4-Isopropyl Benzoic Acid (CAS 536-66-3), compiled from public chemistry databases.
| CAS Registry Number | 536-66-3 |
|---|---|
| PubChem CID | 10820 |
| Molecular formula | C10H12O2 |
| IUPAC name | 4-propan-2-ylbenzoic acid |
| UNII (FDA) | 6LP0WTM1JB |
| Molecular Weight | 164.20 |
|---|---|
| XLogP3 | 3.4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 164.083729621 |
| Monoisotopic Mass | 164.083729621 |
| Topological Polar Surface Area | 37.3 |
| Heavy Atom Count | 12 |
| Melting Point | 117 - 118 °C |
|---|---|
| Solubility | 0.151 mg/mL at 25 °C |
| LogP | 3.40 |
| LogP | 3.24 |
| Ionization Efficiency | 0.05 |
| Ionization Efficiency | 10.5 |
| Ionization Efficiency | MeCN (80%) |
4-Isopropylbenzoic acid; 536-66-3; Cuminic acid; CUMIC ACID; p-Isopropylbenzoic acid; 4-(1-Methylethyl)benzoic acid; 4-(propan-2-yl)benzoic acid; Benzoic acid, 4-(1-methylethyl)-; 4-propan-2-ylbenzoic acid; 6LP0WTM1JB; NSC-1907; DTXSID6060210; RefChem:579534; DTXCID6041476; CHEBI:23412; 208-642-5
| Reported hazard statements | H315 (100%), H319 (100%), H335 (97.9%) |
|---|
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
4-Isopropyl Benzoic Acid · CAS 536-66-3 · C10H12O2. UNII 6LP0WTM1JB. Melting Point: 117 - 118 °C; Solubility: 0.151 mg/mL at 25 °C; LogP: 3.40.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 4-异丙基苯甲酸