Introduction：Basic information about CAS 3575-31-3|4-Octylbenzoic acid, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 4-Octylbenzoic acid |
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| CAS Number | 3575-31-3 | Molecular Weight | 234.334 |
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| Density | 1.0±0.1 g/cm3 | Boiling Point | 359.9±21.0 °C at 760 mmHg |
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| Molecular Formula | C15H22O2 | Melting Point | 97-98 °C(lit.) |
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| MSDS | ChineseUSA | Flash Point | 172.6±16.7 °C |
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Names
| Name | 4-octylbenzoic acid |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.0±0.1 g/cm3 |
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| Boiling Point | 359.9±21.0 °C at 760 mmHg |
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| Melting Point | 97-98 °C(lit.) |
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| Molecular Formula | C15H22O2 |
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| Molecular Weight | 234.334 |
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| Flash Point | 172.6±16.7 °C |
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| Exact Mass | 234.161987 |
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| PSA | 37.30000 |
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| LogP | 6.07 |
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| Vapour Pressure | 0.0±0.8 mmHg at 25°C |
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| Index of Refraction | 1.515 |
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| InChIKey | ZQLDNJKHLQOJGE-UHFFFAOYSA-N |
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| SMILES | CCCCCCCCc1ccc(C(=O)O)cc1 |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- DH5945000
- CHEMICAL NAME :
- Benzoic acid, p-octyl-
- CAS REGISTRY NUMBER :
- 3575-31-3
- BEILSTEIN REFERENCE NO. :
- 1954607
- LAST UPDATED :
- 199701
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C15-H22-O2
- MOLECULAR WEIGHT :
- 234.37
- WISWESSER LINE NOTATION :
- QVR D8
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#10074
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Safety Information
| Personal Protective Equipment | Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter |
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| Hazard Codes | Xn: Harmful; |
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| Risk Phrases | 36/37-22 |
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| Safety Phrases | S22-S24/25 |
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| RIDADR | NONH for all modes of transport |
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| WGK Germany | 3 |
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| RTECS | DH5945000 |
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| HS Code | 2916399090 |
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Customs
| HS Code | 2916399090 |
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| 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% |
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Synonyms
| EINECS 222-692-5 |
| p-n-Octyl benzoic acid |
| 4-Octylbenzoic acid |
| 4-n-Octylbenzoic acid |
| Benzoic acid,4-octyl |
| 4-n-Octyl-benzol-carbonsaeure-(1) |
| 4-octyl-benzoic acid |
| MFCD00042649 |
| Benzoic acid, 4-octyl- |
| p-Octylbenzoic acid |
| BENZOIC ACID,p-OCTYL |
| 4-Octyl-benzoesaeure |
| Para-octylbenzoic acid |
