Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
삼차-도데실 메르캅탄
삼차-도데실메르캅탄 · 삼차-도데실메르캅탄(tert-DODECYLMERCAPTAN) · 터트-도데실 머캅탄 · T-도데실 머캡탄 · T-도데칸싸이올 · 삼차-도데실 머캡탄 · 삼차-도데칸싸이올 · TDM
식별자 및 물리적 특성
| CAS No. | 25103-58-6 |
|---|---|
| 분자식 | C12H26S |
| 평균 분자량 | 202.4 g/mol |
| 단동위원소 질량 | 202.17552183 g/mol |
| SMILES | CC(C)C(C)(C)C(C)(C)C(C)(C)S |
| InChIKey | YAJYJWXEWKRTPO-UHFFFAOYSA-N |
| PubChem CID | 32793 |
| ChEMBL | CHEMBL1325985 |
| EC No. | 246-619-1 |
| DTXSID | DTXSID1025221 |
| 현지명 | 삼차-도데실 메르캅탄 |
화학 및 물리적 성질
| XLogP | 4.8 |
|---|---|
| 극성 표면적 | 1 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 3 |
| 무거운 원자 수 | 13 |
| 형식 전하 | 0 |
| 복잡도 | 176 |
| Physical Description | Large CrystalsLiquid |
| 녹는점 | -7.5°C |
| 끓는 점 | 227-248 °C (lit.) |
| 밀도 | 0.86 g/mL at 20 °C (lit.) |
| 증기압 | 1.33 hPa (25.5 °C) |
| 굴절률 | 1.4486 (estimate) |
| 인화점 | 195 °F |
| 저장 조건 | Store below +30°C. |
| 용해도 | <0.1g/L |
| 물리적 상태 | 투명한 액체 |
| 색상 | 무색 내지 거의 무색 |
| 용해도 | 23&C에서 <0.1g/100mL |
| BRN | 1738382 |
| InChI | 1S/C12H26S/c1-9(2)10(3,4)11(5,6)12(7,8)13/h9,13H,1-8H3 |
| InChIKey | CXUHLUIXDGOURI-UHFFFAOYSA-N |
| SMILES | SC(C(C(C(C)C)(C)C)(C)C)(C)C |
| LogP(분배 계수) | 7.43 at 20℃ |
| EPA | tert-Dodecanethiol (25103-58-6) |
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 2.3% (25 of 1065) of reports.WarningH315 (95.6%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P272, P273, P280, P302+P352, P305+P351+P338, P321, P332+P317, P333+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 1065 reports by companies from 17 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | Chemical: tert-Dodecanethioltert-Dodecanethiol is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of tert-Dodecanethiol 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: 01-12-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/13431t-Dodecanethiol: Does not have an individual approval but may be used under an appropriate group standard |
| 기타 안전 정보 | IMAP assessments - tert-Dodecanethiol: Human health tier I assessment |
| Hazard Classes and Categories | Skin Irrit. 2 (95.6%)Flammable liquids - Category 4 |
| 수질 위해 등급(WGK) | 2 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | JR3150000 |
| 운송 번호(UN) | UN 3082 9/PG 3 |
| 독성 | LD50 orally in Rabbit: 6800 mg/kg LD50 dermal Rabbit 12600 mg/kg |
| 관세 코드 | 29309070 |
| 위험 문구(R) | 36/38-50/53 |
| 위험 표시 | Xi,N |
| 안전 문구(S) | 26-36-60 |
| 포장분류 | III |
| 위험 등급 | 9Aquatic Chronic 1Skin Irrit. 2Skin Sens. 1B |
용도
용도
Tert-dodecylthiol is used in the polymer industry and as a processing regulator, processing aid (i.e. pH value regulator, flocculant and precipitant), lubricant, for the manufacture of plastic materials, resins, paints, coatings, rubber products, and mining, among other things.
일반 설명
Clear white to pale yellow liquid with a repulsive odor.