페닐 살리실산
페닐살리실산 · 페닐살리실레이트 · 2-펜옥시카보닐페놀 · 2-하이드록시벤조 산 페닐 에스터 · 벤조 산, 2-하이드록시-, 페닐 에스터 · 살롤 · 살리실 산, 페닐 에스터 · 페놀 살리실산
식별자 및 물리적 특성
| CAS No. | 118-55-8 |
|---|---|
| 분자식 | C13H10O3 |
| 평균 분자량 | 214.22 g/mol |
| 단동위원소 질량 | 214.06299418 g/mol |
| SMILES | O=C(Oc1ccccc1)c1ccccc1O |
| InChIKey | ZQBAKBUEJOMQEX-UHFFFAOYSA-N |
| PubChem CID | 8361 |
| ChEMBL | CHEMBL1339216 |
| ChEBI | CHEBI:34918 |
| EC No. | 204-259-2 |
| DTXSID | DTXSID6021957 |
| 현지명 | 페닐 살리실산 |
화학 및 물리적 성질
| XLogP | 3.8 |
|---|---|
| 극성 표면적 | 46.5 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 3 |
| 회전 가능 결합 수 | 3 |
| 무거운 원자 수 | 16 |
| 형식 전하 | 0 |
| 복잡도 | 233 |
| 물질 분류 | Other Classes -> Esters, Other |
| 의약품 | Pharmaceuticals -> Listed in ZINC15 |
| 화장품 | DenaturantAntimicrobial |
| SpringerMaterials Properties | Angular frequency |
| 향료 | Fragrance Ingredient (Phenyl salicylate) -> IFRA transparency List |
| 식품 첨가물 | ANTIOXIDANT, STABILIZER OR THICKENER -> FDA Substance added to food |
| 향미제 | EU Flavoring substances |
| 용해도 | insoluble0.15 mg/mL at 25 °Cinsoluble in watersoluble in 50% Heptanemoderately soluble (in ethanol)디옥산: 0.1 g/mL, 투명, 무색 |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| 끓는 점 | 172-173172.00 to 173.00 °C. @ 12.00 mm Hg172-173 °C (12 mm Hg)172-173 °C/12 mmHg (lit.) |
| 녹는점 | 41-4343 °C41-43 °C (lit.) |
| 증기압 | 0.00000817 [mmHg] |
| 밀도 | 1.250g/cm3 |
| 굴절률 | 1.5090 (estimate) |
| FEMA | 3960 | PHENYL SALICYLATE |
| 인화점 | >230 °F |
| 저장 조건 | 2-8°C |
| pKa(산도 계수) | 8.71±0.10(Predicted) |
| 물리적 상태 | 미세 결정성 분말 |
| 색상 | 하얀색 |
| 냄새 | 100.00%에서. 순하고 달콤한 과일 발삼 |
| 향취 유형 | 발사믹 |
| 생물학적 소스 | synthetic |
| 용해도 | 알코올, 에테르, 클로로포름, 테레빈유, 아세톤 및 벤젠에 용해됩니다. 클로로포름벤젠에 거의 용해되지 않습니다. 물에 불용성. |
| JECFA Number | 736 |
| Merck | 14,7310 |
| BRN | 393969 |
| 유전율 | 6.3(50.0℃) |
| 안정성 | 빛에 민감합니다. 강한 산화제와 호환되지 않습니다. 가연성. |
| 화장품 원료 기능 | 항균향수변성제 |
| InChI | 1S/C13H10O3/c14-12-9-5-4-8-11(12)13(15)16-10-6-2-1-3-7-10/h1-9,14H |
| InChIKey | ZQBAKBUEJOMQEX-UHFFFAOYSA-N |
| SMILES | Oc1ccccc1C(=O)Oc2ccccc2 |
| LogP(분배 계수) | 3.55 |
| NIST | Benzoic acid, 2-hydroxy-, phenyl ester(118-55-8) |
| EPA | Phenyl salicylate (118-55-8) |
화학적 성질
Phenyl salicylate is a white crystalline solid that has a balsamic type odor. It readily dissolves in ether, benzene, and chloroform, and can be dissolved in ethanol, but is almost insoluble in water and glycerol.
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 12.6% (92 of 729) of reports.WarningH315 (85.9%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 729 reports by companies from 14 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | Chemical: Benzoic acid, 2-hydroxy-, phenyl esterCommission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)Benzoic acid, 2-hydroxy-, phenyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzoic acid, 2-hydroxy-, phenyl ester are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 14-07-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/20078Benzoic acid, 2-hydroxy-, phenyl ester: Non hazardous |
| 유해성 요약 | Causes convulsions and decreased body temperature in oral lethal-dose studies of rabbits[RTECS] Mildly irritating to skin and eyes[NTP] Safe when used as a flavoring agent in food[JECFA] A skin and strong eye irritant[Sigma-Aldrich MSDS] See Methyl salicylate. See Acetylsalicylic acid. |
| Hazard Classes and Categories | Skin Irrit. 2 (85.9%) |
| Carcinogen Classification | No indication of carcinogenicity to humans (not listed by IARC). |
| 수질 위해 등급(WGK) | 2 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | VO6125000 |
| 운송 번호(UN) | UN 3077 9 / PGIII |
| 관세 코드 | 29182300 |
| 위험 문구(R) |
용도
개요
Phenyl salicylate, also referred to as salol, is a member of the hydroxybenzoic acid family of organic compounds. Its chemical formula is C13H10O3. It is manufactured through the chemical reaction between phenol and salicylic acid. Phenyl salicylate is a good antiseptic that is used in the production of toothpaste. It has several medical properties, including its ability to act as an analgesic, anti-septic with antibacterial properties, and antipyretic to reduce fever. Additionally, it can be utilized for treating lower urinary tract inflammation. Although it is no longer widely used in human medicine, it is still employed in veterinary medicine.
용도
Phenyl salicylate is used as an analgesic and antipyretic. It is also used in the manufacture of polymer plastics, lacquers, waxes, polishes, adhesives, and sunscreen products(suntan oils and cremes). As light absorber to prevent discoloration of plastics. It is also a fragrance ingredient, but has limited use. in veterinary use as an external disinfectant and intestinal antiseptic agent.
일반 설명
Phenyl salicylate is a phenyl ester of salicylic acid and is used as a medicine under the name ′salol′ as an internal antiseptic. It finds its application in paints, waxes, and varnishes as it is found to absorb UV radiation in the range of 290-325 nm. It also shows its presence in cosmetics and sunscreens as a UV filter.
제조 및 합성 방법
제조 방법
Phenyl salicylate was synthesized by esterification of salicylic acid and phenol in the presence of catalyst sulfuric acid. The esterification liquid is neutralized, washed with water and distilled to obtain the finished product. It also can preparation by the action of phosphorus oxychloride on a mixture of phenol and salicylic acid (Merck Index, 1968).