디벤질 디설파이드
다이벤질다이설파이드 · 디벤질디설파이드 · 다이벤질 다이설파이드 · 1,2-dibenzyldisulfane · BDS · FEMA 3617 · BENZYL DISULFIDE · DIBENZYL DISULPHIDE
식별자 및 물리적 특성
| CAS No. | 150-60-7 |
|---|---|
| 분자식 | C14H14S2 |
| 평균 분자량 | 246.4 g/mol |
| 단동위원소 질량 | 246.05369279 g/mol |
| SMILES | c1ccc(CSSCc2ccccc2)cc1 |
| InChIKey | GVPWHKZIJBODOX-UHFFFAOYSA-N |
| PubChem CID | 9012 |
| ChEMBL | CHEMBL121047 |
| ChEBI | CHEBI:72752 |
| EC No. | 205-764-0 |
| DTXSID | DTXSID6059738 |
| 현지명 | 디벤질 디설파이드 |
화학 및 물리적 성질
| XLogP | 3.9 |
|---|---|
| 극성 표면적 | 50.6 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 5 |
| 무거운 원자 수 | 16 |
| 형식 전하 | 0 |
| 복잡도 | 150 |
| 물질 분류 | Other Classes -> Sulfur Compounds |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| 식품 첨가물 | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| 향미제 | EU Flavoring substances |
| 용해도 | insoluble or slightly soluble in watersoluble in hot alcohol, ether(in ethanol)클로로포름(약간 용해됨), 에틸아세테이트(약간 용해됨) |
| 끓는 점 | 270.00 °C. @ 760.00 mm Hg>270 °C (with decomposition)210-216°C 18mm |
| 녹는점 | 71 - 72 °C69-72 °C (lit.) |
| Physical Description | Solid[Merck Index] Faintly beige crystalsStrong, offensive odorInsoluble at room temperature[MSDSonline]pale yellowish leafy crystals or leaflets with "burnt caramellic" odour |
| 밀도 | 1.3 |
| 굴절률 | 1.6210 (estimate) |
| FEMA | 3617 | BENZYL DISULFIDE |
| 인화점 | 150°C |
| 저장 조건 | 2-8°C |
| 물리적 상태 | Solid |
| 색상 | 하얀색 |
| 냄새 | 프로필렌 글리콜 중 0.10%. 스모키 탄 흙빛 녹색 카라멜 |
| 향취 유형 | 향을 태우는 연기 |
| 생물학적 소스 | synthetic |
| JECFA Number | 579 |
| Merck | 14,3013 |
| BRN | 1110443 |
| 주요 응용 | 청소용품화장품향료 및 향음식 및 음료개인 위생 관리 |
| InChI | 1S/C14H14S2/c1-3-7-13(8-4-1)11-15-16-12-14-9-5-2-6-10-14/h1-10H,11-12H2 |
| InChIKey | GVPWHKZIJBODOX-UHFFFAOYSA-N |
| SMILES | C(SSCc1ccccc1)c2ccccc2 |
| LogP(분배 계수) | 5.29 |
| NIST | Benzyl disulfide(150-60-7) |
| EPA | Disulfide, bis(phenylmethyl) (150-60-7) |
화학적 성질
Benzyl disulfide is a pale yellow leafy or small leafy crystals that has a powerful, burnt-caramel odor; irritating when concentrated. Boiling point >270°C(decomposition). Several insoluble in water, soluble in hot ethanol and ether.
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 71.1% (113 of 159) of all reports.WarningH317 (28.9%): May cause an allergic skin reaction [Warning Sensitization, Skin]P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 159 reports by companies from 5 notifications to the ECHA C&L Inventory. |
|---|---|
| 규제 정보 | Chemical: Disulfide, bis(phenylmethyl)Disulfide, bis(phenylmethyl): Does not have an individual approval but may be used under an appropriate group standard |
| 유해성 요약 | An irritantMay cause skin sensitization[MSDSonline] |
| Hazard Classes and Categories | Skin Sens. 1 (28.9%) |
| 유해 작용 | Skin Sensitizer - An agent that can induce an allergic reaction in the skin. |
| 수질 위해 등급(WGK) | 2 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | JO1750000 |
| 관세 코드 | 29309090 |
| 위험 문구(R) | 43 |
| 위험 표시 | Xi |
| 안전 문구(S) | 22-36/37-37-24 |
| 위험 등급 | Skin Sens. 1 |
| 저장 분류 | 11 - Combustible Solids |
용도
용도
Dibenzyl disulfide has been used in lubricating oil formulations to improve thermal and aging resistance of the oil. It is used an antioxidant in rubber compounding, stabilizer for petroleum fractions, additive to silicone oils. The soly in oils is increased by the presence of benzyl alcohol.
일반 설명
Dibenzyl Disulfide (DBDS) also called Benzyl disulfide is an aromatic disulfide with molecular formula C14H14S2. It has a structural unit, which consists of a linked pair of sulfur atoms. It is insoluble in water whereas soluble in hot methanol, benzene, ether and hot ethanol. Large disulfides-linked agglomerates are rifely found in proteins and many other biologically active molecules.
제조 및 합성 방법
제조 방법
Dibenzyl disulfide is synthesized from benzyl chloride and Na2S2; also from benzyl mercaptan via oxidation.Md. Tajbakhsh et al. (2004) synthesized disulfide from thiols by oxidation with 2,6- DCPCC in acetonitirle at room temperature. For synthesis of DBDS, they used benzyl mercaptan. In 8 min, 96% yield was obtained.Vivek Polshettiwar et al. (2003) obtained disulfide from reaction of alkyl halide with reagent (C6H5CH2N(Et)3)6Mo7S24 in presence of CHCl3 at room temperature. Pure disulfide was obtained by purification by column chromatography method on silica gel. 89% yield was obtained.