| Company Name: |
Alfa Aesar |
| Tel: |
400-6106006 |
| Email: |
saleschina@alfa-asia.com |
|
| | 4-N-OCTYLBENZOIC ACID Basic information |
| | 4-N-OCTYLBENZOIC ACID Chemical Properties |
| 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 | | InChI | 1S/C15H22O2/c1-2-3-4-5-6-7-8-13-9-11-14(12-10-13)15(16)17/h9-12H,2-8H2,1H3,(H,16,17) | | InChIKey | ZQLDNJKHLQOJGE-UHFFFAOYSA-N | | SMILES | CCCCCCCCc1ccc(cc1)C(O)=O | | CAS DataBase Reference | 3575-31-3(CAS DataBase Reference) | | EPA Substance Registry System | Benzoic acid, 4-octyl- (3575-31-3) |
| Hazard Codes | Xn | | Risk Statements | 36/37-22 | | Safety Statements | 22-24/25 | | WGK Germany | 3 | | RTECS | DH5945000 | | TSCA | TSCA listed | | HS Code | 29163990 | | Storage Class | 11 - Combustible Solids | | Toxicity | LD50 ivn-mus: 56 mg/kg CSLNX* NX#10074 |
| | 4-N-OCTYLBENZOIC ACID Usage And Synthesis |
| Chemical Properties | white needles or powder | | Uses | 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.] |
| | 4-N-OCTYLBENZOIC ACID Preparation Products And Raw materials |
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