Introduction：Basic information about CAS 21643-38-9|4-Hexylbenzoic acid, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 4-Hexylbenzoic acid |
|---|
| CAS Number | 21643-38-9 | Molecular Weight | 206.281 |
|---|
| Density | 1.0±0.1 g/cm3 | Boiling Point | 330.3±21.0 °C at 760 mmHg |
|---|
| Molecular Formula | C13H18O2 | Melting Point | 95-97 °C |
|---|
| MSDS | ChineseUSA | Flash Point | 157.5±16.7 °C |
|---|
Names
| Name | 4-Hexylbenzoic acid |
|---|
| Synonym | More Synonyms |
|---|
Chemical & Physical Properties
| Density | 1.0±0.1 g/cm3 |
|---|
| Boiling Point | 330.3±21.0 °C at 760 mmHg |
|---|
| Melting Point | 95-97 °C |
|---|
| Molecular Formula | C13H18O2 |
|---|
| Molecular Weight | 206.281 |
|---|
| Flash Point | 157.5±16.7 °C |
|---|
| Exact Mass | 206.130676 |
|---|
| PSA | 37.30000 |
|---|
| LogP | 5.01 |
|---|
| Vapour Pressure | 0.0±0.8 mmHg at 25°C |
|---|
| Index of Refraction | 1.522 |
|---|
| InChIKey | CPEPWESLFZVUEP-UHFFFAOYSA-N |
|---|
| SMILES | CCCCCCc1ccc(C(=O)O)cc1 |
|---|
| Water Solubility | methanol: 0.1 g/mL, clear |
|---|
Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- DH1485000
- CHEMICAL NAME :
- Benzoic acid, p-hexyl-
- CAS REGISTRY NUMBER :
- 21643-38-9
- BEILSTEIN REFERENCE NO. :
- 2046454
- LAST UPDATED :
- 199701
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C13-H18-O2
- MOLECULAR WEIGHT :
- 206.31
- WISWESSER LINE NOTATION :
- QVR D6
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 56 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#09965
|
Safety Information
| Personal Protective Equipment | Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter |
|---|
| Hazard Codes | Xn: Harmful; |
|---|
| Risk Phrases | R36/37 |
|---|
| Safety Phrases | S22-S24/25 |
|---|
| RIDADR | NONH for all modes of transport |
|---|
| WGK Germany | 3 |
|---|
| RTECS | DH1485000 |
|---|
| HS Code | 2916399090 |
|---|
Preparation
Customs
| HS Code | 2916399090 |
|---|
| Summary | 2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0% |
|---|
Synonyms
| para-n-hexyl benzoic acid |
| 4-n-Hexylbenzoic acid |
| MFCD00013997 |
| p-n-Hexylbenzoic acid |
| Benzoic acid, p-hexyl- |
| Benzoic acid, 4-hexyl- |
| Benzoic acid,4-hexyl |
| 4-Hexylbenzoic acid |
| 4-hexyl-benzoic acid |
| p-Hexylbenzoic acid |
| EINECS 244-490-6 |
| BENZOIC ACID,p-HEXYL |
| QVR D6 |
