4-N-OCTYLBENZOIC ACID
Synonym(s):p -Octylbenzoic acid;4-n -Octylbenzoic acid
- CAS NO.：3575-31-3
- Empirical Formula: C15H22O2
- Molecular Weight: 234.33
- MDL number: MFCD00042649
- EINECS: 222-692-5
- SAFETY DATA SHEET (SDS)
- Update Date: 2025-01-27 09:38:02
What is 4-N-OCTYLBENZOIC ACID?
Chemical properties
white needles or powder
The Uses of 4-N-OCTYLBENZOIC ACID
4-n-Octylbenzoic acid is used as a pharmaceutical intermediate.
Safety Profile
Poison by intravenous route.When heated to decomposition it emits acrid smoke andirritating fumes.
Purification Methods
When crystallised from EtOH it has m 139o, but when crystallised from aqueous EtOH it has m 99-100o. It forms liquid crystals. [Beilstein 9 H 571, 9 III 2611.]
Properties of 4-N-OCTYLBENZOIC ACID
| Melting point: | 97-98 °C(lit.) |
| Boiling point: | 361.43°C (estimate) |
| Density | 1.002 |
| refractive index | 1.5262 (estimate) |
| storage temp. | Sealed in dry,Room Temperature |
| form | powder to crystal |
| pka | 4.36±0.10(Predicted) |
| color | Crystals from EtOH (aq) |
| Water Solubility | Soluble in methanol, hot hexane, hot ethanol and 2-propanol and toluene. Insoluble in water. |
| BRN | 1954607 |
| CAS DataBase Reference | 3575-31-3(CAS DataBase Reference) |
| EPA Substance Registry System | Benzoic acid, 4-octyl- (3575-31-3) |
Safety information for 4-N-OCTYLBENZOIC ACID
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H227:Flammable liquids H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation |
| Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of soap and water. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P332+P313:IF SKIN irritation occurs: Get medical advice/attention. P337+P313:IF eye irritation persists: Get medical advice/attention. P370+P378:In case of fire: Use … for extinction. P403+P235:Store in a well-ventilated place. Keep cool. |
Computed Descriptors for 4-N-OCTYLBENZOIC ACID
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