Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
2-에틸헥실 살리실산염
2-에틸헥실살리실산염 · 에칠헥실살리실레이트 · Ethylhexyl salicylate · OCTISALATE · Octyl salicylate · Benzoic acid, 2-hydroxy-, 2-ethylhexyl ester · OCTISALATE,USP · Neo Heliopan OS
식별자 및 물리적 특성
| CAS No. | 118-60-5 |
|---|---|
| 분자식 | C15H22O3 |
| 평균 분자량 | 250.33 g/mol |
| 단동위원소 질량 | 250.15689456 g/mol |
| SMILES | CCCCC(CC)COC(=O)c1ccccc1O |
| InChIKey | FMRHJJZUHUTGKE-UHFFFAOYSA-N |
| PubChem CID | 8364 |
| ChEMBL | CHEMBL1329203 |
| ChEBI | CHEBI:88639 |
| EC No. | 204-263-4 |
| DTXSID | DTXSID7040734 |
| 현지명 | 2-에틸헥실 살리실산염 |
화학 및 물리적 성질
| XLogP | 5.7 |
|---|---|
| 극성 표면적 | 46.5 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 3 |
| 회전 가능 결합 수 | 8 |
| 무거운 원자 수 | 18 |
| 형식 전하 | 0 |
| 복잡도 | 240 |
| Physical Description | Liquid |
| Kovats Retention Index | 17691816.7180518141807 |
| Collision Cross Section | 151.39 Ų [M+H-H2O]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards]154.54 Ų [M+H]+ [CCS Type: TW158.92 Ų [M+Na]+ [CCS Type: TW161.26 Ų [M+K]+ [CCS Type: TW |
| 끓는 점 | 189-190 °C/21 mmHg (lit.) |
| 밀도 | 1.014 g/mL at 25 °C (lit.) |
| 증기압 | 0.018Pa at 20℃ |
| 굴절률 | n20/D 1.502(lit.) |
| 인화점 | >230 °F |
| 저장 조건 | Refrigerator |
| 용해도 | 클로로포름(약간 용해됨), 에틸아세테이트(약간 용해됨) |
| 물리적 상태 | Liquid |
| pKa(산도 계수) | 8.13±0.30(Predicted) |
| 색상 | 무색의 액체. |
| 냄새 | 100.00%에서. 순한 난초 달콤한 발삼 |
| 향취 유형 | 꽃향기 |
| 생물학적 소스 | synthetic |
| 용해도 | 74.4μg/L at 20℃ |
| Merck | 14,6770 |
| BRN | 2730664 |
| 주요 응용 | 청소용품화장품환경향료 및 향음식 및 음료개인 위생 관리 |
| 화장품 원료 기능 | 광안정기자외선 흡수제자외선 필터 |
| InChI | 1S/C15H22O3/c1-3-5-8-12(4-2)11-18-15(17)13-9-6-7-10-14(13)16/h6-7,9-10,12,16H,3-5,8,11H2,1-2H3 |
| InChIKey | FMRHJJZUHUTGKE-UHFFFAOYSA-N |
| SMILES | CCCCC(CC)COC(=O)c1ccccc1O |
| LogP(분배 계수) | 5.94 at 25℃ |
| NIST | Salicylic acid, 2-ethylhexyl ester(118-60-5) |
| EPA | 2-Ethylhexyl salicylate (118-60-5) |
화학적 성질
liquid
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 0.8% (14 of 1669) of reports.WarningH315 (84.7%): Causes skin irritation [Warning Skin corrosion/irritation]H410 (14.4%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]P264, P273, P280, P302+P352, P321, P332+P317, P362+P364, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 1669 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 14 of 1669 reports by companies.There are 8 notifications provided by 1655 of 1669 reports by companies with hazard statement code(s).Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| 규제 정보 | Chemical: Benzoic acid, 2-hydroxy-, 2-ethylhexyl esterBenzoic acid, 2-hydroxy-, 2-ethylhexyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzoic acid, 2-hydroxy-, 2-ethylhexyl 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: 18-05-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/14203Ethyl hexyl salicylate: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Skin Irrit. 2 (84.7%)Aquatic Chronic 1 (14.4%) |
| 독성 요약 | The Panel concluded that the following ingredients are safe in cosmetics in the present practices of use and concentration described in the safety assessment, when formulated to be non-irritating and non-sensitizing, which may be based on a quantitative risk assessment (QRA)...Ethylhexyl Salicylate...Safe for use in cosmetics, with qualifications |
| 수질 위해 등급(WGK) | - |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | VO3150000 |
| 독성 | LD50 intraperitoneal in mouse: 200mg/kg |
| 관세 코드 | 2918230000 |
| 위험 문구(R) | 36/37/38 |
| 안전 문구(S) | 26-36/37/39 |
| 위험 등급 | Aquatic Chronic 1 |
| 저장 분류 | 10 - Combustible liquids |
용도
출처
Has apparently not been reported to occur in nature.
용도
2-ethylhexyl salicylate is also known as ethylhexyl salicylate and octyl salicylate. It is a uVB absorber.
일반 설명
2-Ethylhexyl salicylate(EHS) is an organic ultraviolet(UV) absorber that can be used as a photostable ingredient in cosmetic formulations. It shows an absorption spectra in the range of 280-320 nm in the UV region.
제조 및 합성 방법
제조 방법
From 2-ethylhexanol and salicylic acid by azeotropic-type esterification (Arctander, 1969).