Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
2-Ethylhexanethiol
UNII:9M9TA4S7BL · Ethylhexanethiol · 2-ETHYLHEXANETHIOL · Iso-octyl mercaptan · 2-ETHYL-1-HEXANETHIO · 2-Ethylhexan-1-thiol · 2-ethylhexane-1-thiol · 2-ETHYLHEXYLMERCAPTAN
식별자 및 물리적 특성
| CAS No. | 7341-17-5 |
|---|---|
| 분자식 | C8H18S |
| 평균 분자량 | 146.3 g/mol |
| 단동위원소 질량 | 146.11292175 g/mol |
| SMILES | CCCCC(CC)CS |
| InChIKey | UCJMHYXRQZYNNL-UHFFFAOYSA-N |
| PubChem CID | 110968 |
| ChEBI | CHEBI:167084 |
| EC No. | 230-854-1 |
| DTXSID | DTXSID80864041 |
화학 및 물리적 성질
| XLogP | 4 |
|---|---|
| 극성 표면적 | 1 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 5 |
| 무거운 원자 수 | 9 |
| 형식 전하 | 0 |
| 복잡도 | 52.5 |
| 식품 첨가물 | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| 밀도 | 0.817-0.8270.843 g/mL at 25 °C |
| 향미제 | EU Flavoring substances |
| 용해도 | soluble in oil and alcohol(in ethanol) |
| 끓는 점 | 178.00 to 182.00 °C. @ 760.00 mm Hg178-182 °C67°C/10mmHg(lit.) |
| 녹는점 | -40.00 to -39.00 °C. @ 760.00 mm Hg-40 °C |
| 굴절률 | 1.453-1.459n20/D 1.457 |
| Physical Description | colourless to pale yellow liquid |
| FEMA | 3833 | 2-ETHYLHEXANETHIOL |
| 인화점 | 60 °C |
| pKa(산도 계수) | 10.34±0.10(Predicted) |
| 물리적 상태 | 투명한 액체 |
| 색상 | 무색 내지 거의 무색 |
| JECFA Number | 519 |
| InChI | 1S/C8H18S/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3 |
| InChIKey | UCJMHYXRQZYNNL-UHFFFAOYSA-N |
| SMILES | CCCCC(CC)CS |
| LogP(분배 계수) | 4.25 |
| NIST | 1-Hexanethiol, 2-ethyl-(7341-17-5) |
| EPA | 1-Hexanethiol, 2-ethyl- (7341-17-5) |
안전 및 규제
| GHS 분류 | DangerH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P273, P280, P284, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P321, P330, P337+P317, P342+P316, P362+P364, P370+P378, P403, P403+P235, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 77 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | 1-Hexanethiol, 2-ethyl-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Flam. Liq. 3 (100%) |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| 운송 번호(UN) | UN 3336 3/PG 3 |
| 관세 코드 | 29309090 |
| 위험 문구(R) | 36-43-52/53 |
| 위험 표시 | Xi |
| 안전 문구(S) | 26-36/37 |
| 포장분류 | III |
| 위험 등급 | 3Aquatic Chronic 3Eye Irrit. 2Flam. Liq. 3Resp. Sens. 1 |
| 저장 분류 | 3 - Flammable liquids |
용도
출처
Reported found in potato.
용도
2-Ethylhexanethiol can be used as a capping agent on the gold surface for the development of chemiresistive vapor sensors. It also forms a SAM on copper indium sulfide (CuInS2) which can be used as an active layer on organic electronic devices such as organic light emitting diodes (OLEDs) and solar cells.
일반 설명
2-Ethylhexanethiol is an organothiol that forms a self-assembled monolayer (SAM) on a variety of surfaces such as metal oxides and metals. It modifies the surface by acting as a corrosion inhibitor and increases the stability of the surface.