Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
P-옥틸옥시벤조 산
P-옥틸옥시벤조산 · 4-N-옥틸옥시벤조산 · OOBA · TIMTEC-BB SBB008044 · RARECHEM AL BO 0490 · octyloxybenzoicacid · 4-octoxybenzoic acid · p-Octoxybenzoic acid
식별자 및 물리적 특성
| CAS No. | 2493-84-7 |
|---|---|
| 분자식 | C15H22O3 |
| 평균 분자량 | 250.33 g/mol |
| 단동위원소 질량 | 250.15689456 g/mol |
| SMILES | CCCCCCCCOc1ccc(C(=O)O)cc1 |
| InChIKey | IALWCYFULVHLEC-UHFFFAOYSA-N |
| PubChem CID | 17231 |
| ChEMBL | CHEMBL1328156 |
| ChEBI | CHEBI:170073 |
| EC No. | 607-462-8 |
| DTXSID | DTXSID1025807 |
| 현지명 | P-옥틸옥시벤조 산 |
화학 및 물리적 성질
| XLogP | 5 |
|---|---|
| 극성 표면적 | 46.5 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 3 |
| 회전 가능 결합 수 | 9 |
| 무거운 원자 수 | 18 |
| 형식 전하 | 0 |
| 복잡도 | 220 |
| 물질 분류 | Liquid Crystal (LCM) Monomers |
| SpringerMaterials Properties | Chemical diffusion |
| 용해도 | less than 1 mg/mL at 68 °F (NTP, 1992)almost transparency in hot Methanol |
| 녹는점 | 226 °F (Turbid) (NTP, 1992)101-105 °C (lit.) |
| Physical Description | P-n-octyloxybenzoic acid is a white powder. (NTP, 1992) |
| 끓는 점 | 353.47°C (rough estimate) |
| 밀도 | 1.0589 (rough estimate) |
| 굴절률 | 1.5600 (estimate) |
| 저장 조건 | Sealed in dry,Room Temperature |
| 물리적 상태 | powder to crystal |
| pKa(산도 계수) | 4.48±0.10(Predicted) |
| 색상 | 흰색에서 거의 흰색 |
| EPA | p-(Octyloxy)benzoic acid (2493-84-7) |
화학적 성질
White to light yellow crystal powder
안전 및 규제
| GHS 분류 | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| 화재 위험 | Flash point data for this chemical are not available, however it is probably combustible. (NTP, 1992) |
| 반응성 그룹 | Acids, Carboxylic |
| Reactivity Profile | P-N-OCTYLOXYBENZOIC ACID is a carboxylic acid. Carboxylic acids donate hydrogen ions if a base is present to accept them. They react in this way with all bases, both organic (for example, the amines) and inorganic. Their reactions with bases, called "neutralizations", are accompanied by the evolution of substantial amounts of heat. Neutralization between an acid and a base produces water plus a salt. Carboxylic acids with six or fewer carbon atoms are freely or moderately soluble in waterthose with more than six carbons are slightly soluble in water. Soluble carboxylic acid dissociate to an extent in water to yield hydrogen ions. The pH of solutions of carboxylic acids is therefore less than 7.0. Many insoluble carboxylic acids react rapidly with aqueous solutions containing a chemical base and dissolve as the neutralization generates a soluble salt. Carboxylic acids in aqueous solution and liquid or molten carboxylic acids can react with active metals to form gaseous hydrogen and a metal salt. Such reactions occur in principle for solid carboxylic acids as well, but are slow if the solid acid remains dry. Even "insoluble" carboxylic acids may absorb enough water from the air and dissolve sufficiently in it to corrode or dissolve iron, steel, and aluminum parts and containers. Carboxylic acids, like other acids, react with cyanide salts to generate gaseous hydrogen cyanide. The reaction is slower for dry, solid carboxylic acids. Insoluble carboxylic acids react with solutions of cyanides to cause the release of gaseous hydrogen cyanide. Flammable and/or toxic gases and heat are generated by the reaction of carboxylic acids with diazo compounds, dithiocarbamates, isocyanates, mercaptans, nitrides, and sulfides. Carboxylic acids, especially in aqueous solution, also react with sulfites, nitrites, thiosulfates (to give H2S and SO3), dithionites (SO2), to generate flammable and/or toxic gases and heat. Their reaction with carbonates and bicarbonates generates a harmless gas (carbon dioxide) but still heat. Like other organic compounds, carboxylic acids can be oxidized by strong oxidizing agents and reduced by strong reducing agents. These reactions generate heat. A wide variety of products is possible. Like other acids, carboxylic acids may initiate polymerization reactionslike other acids, they often catalyze (increase the rate of) chemical reactions. |
| Air and Water Reactions | Insoluble in water. |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| 소화 | Fires involving this compound can be controlled using a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992) |
| 응급 처치 | EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop. |
| 비화재 누출 대응 | SMALL SPILLS AND LEAKAGE: Should a spill occur while you are handling this chemical, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with 60-70% ethanol and transfer the dampened material to a suitable container. Use absorbent paper dampened with 60-70% ethanol to pick up any remaining material. Seal the absorbent paper, and any of your clothes, which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with 60-70% ethanol followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned. |
| Personal Protective Equipment (PPE) | RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992) |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| 관세 코드 | 29189990 |
| 안전 문구(S) | 24/25 |
| 기존화학 물질 | KE-26764 |
용도
용도
Intermediate for the synthesis of liquid crystals including chiral ferroelectric benzoates. Used in the preparation of medicinal compounds.
일반 설명
P-n-octyloxybenzoic acid is a white powder. (NTP, 1992)
제조 및 합성 방법
제조 방법
Synthesis of 4-(Octyloxy)benzoic acid: 1-bromooctane was synthesised using n-octanol as raw material and 1-bromooctane was reacted with methyl p-hydroxybenzoate and then hydrolysed to obtain 4-(Octyloxy)benzoic acid.