Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
클로로탄산 2-에틸헥실에스테르
클로로탄산2-에틸헥실에스테르 · 클로로포름산2-에틸핵실에르텔 · 2-에틸헥실 클로로폼에이트 · 2-에틸헥실클로로포메이트 · OCTYL CHLOROFORMATE · 2-EHCF · 2-Ethylhexyl carbonochloridate · Isoctyl chloride
식별자 및 물리적 특성
| CAS No. | 24468-13-1 |
|---|---|
| 분자식 | C9H17ClO2 |
| 평균 분자량 | 192.68 g/mol |
| 단동위원소 질량 | 192.09170746 g/mol |
| SMILES | CCCCC(CC)COC(=O)Cl |
| InChIKey | RTGLJCSUKOLTEM-UHFFFAOYSA-N |
| PubChem CID | 62783 |
| ChEMBL | CHEMBL1880924 |
| EC No. | 246-278-9 |
| DTXSID | DTXSID2027832 |
| 현지명 | 클로로탄산 2-에틸헥실에스테르 |
화학 및 물리적 성질
| XLogP | 4.3 |
|---|---|
| 극성 표면적 | 26.3 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 7 |
| 무거운 원자 수 | 12 |
| 형식 전하 | 0 |
| 복잡도 | 126 |
| 끓는 점 | 106 °C @760 [mm Hg]106-107 °C30 mm Hg(lit.) |
| Physical Description | 2-ethylhexyl chloroformate appears as a colorless to light yellow colored liquid. Denser than water. Contact may irritate skin, eyes and mucous membranes. Toxic by ingestion, inhalation and/or skin absorption. |
| 밀도 | 0.981 g/mL at 25 °C(lit.) |
| 증기 밀도 | >1 (vs air) |
| 증기압 | 0.1 psi ( 20 °C) |
| 굴절률 | n20/D 1.431(lit.) |
| 인화점 | 179 °F |
| 저장 조건 | 2-8°C |
| 용해도 | soluble in Ether,Benzene,Chloroform |
| 물리적 상태 | 투명한 액체 |
| 색상 | 무색~연황색 |
| InChI | InChI=1S/C9H17ClO2/c1-3-5-6-8(4-2)7-12-9(10)11/h8H,3-7H2,1-2H3 |
| InChIKey | RTGLJCSUKOLTEM-UHFFFAOYSA-N |
| SMILES | C(Cl)(OCC(CC)CCCC)=O |
| EPA | Carbonochloridic acid, 2-ethylhexyl ester (24468-13-1) |
안전 및 규제
| GHS 분류 | DangerH290 (37.5%): May be corrosive to metals [Warning Corrosive to Metals]P234, P260, P261, P264, P271, P272, P280, P284, P302+P352, P304+P340, P316, P320, P321, P332+P317, P333+P317, P362+P364, P390, P403+P233, P405, P406, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 184 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | Chemical: Carbonochloridic acid, 2-ethylhexyl esterCarbonochloridic acid, 2-ethylhexyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Carbonochloridic acid, 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: 22-09-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/14153 |
| 기타 안전 정보 | Evaluation - Chemicals that are unlikely to require further regulation to manage risks to human health |
| 운송 라벨(DOT) | Poison Corrosive |
| 화재 위험 | Excerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:· Combustible material: may burn but does not ignite readily. |
| 건강 유해성 | Excerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:· TOXIC and/or CORROSIVEinhalation, ingestion or contact (skin, eyes) with vapors, dusts or substance may cause severe injury, burns or death. |
| 운송 번호 및 가이드(DOT) | 2748 156 |
| 반응성 그룹 | Acyl Halides, Sulfonyl Halides, and Chloroformates |
| Reactivity Alerts | Water-Reactive |
| Reactivity Profile | 2-ETHYLHEXYL CHLOROFORMATE is water reactive. Incompatible with strong oxidizing agents, alcohols, bases (including amines). May react vigorously or explosively if mixed with diisopropyl ether or other ethers in the presence of trace amounts of metal salts [J. Haz. Mat., 1981, 4, 291]. |
용도
일반 설명
A colorless to light yellow colored liquid. Denser than water. Contact may irritate skin, eyes and mucous membranes. Toxic by ingestion, inhalation and/or skin absorption.