Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
트라이-엔-헥실아민
트라이-엔-헥실아민 · TRIHEXYLAMINE · NSC 409786 · N-TRIHEXYLAMINE · TRI-N-HEXYLAMINE · Trihexylamine,98% · TrihexylaMine 96% · Trihexylamine >Tri(hex-1-yl)amine
식별자 및 물리적 특성
| CAS No. | 102-86-3 |
|---|---|
| 분자식 | C18H39N |
| 평균 분자량 | 269.5 g/mol |
| 단동위원소 질량 | 269.30825025 g/mol |
| SMILES | CCCCCCN(CCCCCC)CCCCCC |
| InChIKey | DIAIBWNEUYXDNL-UHFFFAOYSA-N |
| PubChem CID | 66022 |
| EC No. | 203-062-9 |
| 현지명 | 트라이-엔-헥실아민 |
화학 및 물리적 성질
| XLogP | 7.3 |
|---|---|
| 극성 표면적 | 3.2 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 15 |
| 무거운 원자 수 | 19 |
| 형식 전하 | 0 |
| 복잡도 | 127 |
| Physical Description | Liquid[Alfa Aesar MSDS] |
| Kovats Retention Index | 174017301741 |
| 녹는점 | <-75°C |
| 끓는 점 | 150-159 °C/12 mmHg (lit.) 263-265 °C (lit.) |
| 밀도 | 0.794 g/mL at 25 °C (lit.) |
| 증기 밀도 | 9.3 (vs air) |
| 증기압 | <1 mm Hg ( 20 °C) |
| 굴절률 | n20/D 1.442(lit.) |
| 인화점 | >230 °F |
| 용해도 | 클로로포름(약간 용해됨), 메탄올(약간 용해됨) |
| pKa(산도 계수) | 10.46±0.50(Predicted) |
| 물리적 상태 | 액체 |
| 색상 | 무색 내지 거의 무색 |
| 용해도 | 물과 약간 섞임. |
| BRN | 1755828 |
| InChI | 1S/C18H39N/c1-4-7-10-13-16-19(17-14-11-8-5-2)18-15-12-9-6-3/h4-18H2,1-3H3 |
| InChIKey | DIAIBWNEUYXDNL-UHFFFAOYSA-N |
| SMILES | CCCCCCN(CCCCCC)CCCCCC |
| LogP(분배 계수) | 4.47 at 25℃ and pH8-9 |
| EPA | 1-Hexanamine, N,N-dihexyl- (102-86-3) |
안전 및 규제
| GHS 분류 | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H317 (70.1%): May cause an allergic skin reaction [Warning Sensitization, Skin]H319 (99.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (26%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]H400 (70.1%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]H410 (70.1%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]H411 (29.9%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 154 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.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 | 1-Hexanamine, N,N-dihexyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Hexanamine, N,N-dihexyl- 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: 25-09-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/25871 |
| 유해성 요약 | An irritant[Alfa Aesar MSDS] |
| Hazard Classes and Categories | Acute Tox. 4 (100%)Skin Irrit. 2 (100%)Skin Sens. 1B (70.1%)Eye Irrit. 2 (99.4%)STOT SE 3 (26%)Aquatic Acute 1 (70.1%)Aquatic Chronic 1 (70.1%)Aquatic Chronic 2 (29.9%) |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| 운송 번호(UN) | UN 3082 9/PG 3 |
| 관세 코드 | 29211990 |
| 위험 문구(R) | 22-36/37/38-51/53 |
| 위험 표시 | Xn,N |
| 안전 문구(S) | 26-36-61 |
| 포장분류 | III |
| 위험 등급 | 9Acute Tox. 4 OralAquatic Chronic 2Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| 기존화학 물질 | KE-34275 |
| 저장 분류 | 10 - Combustible liquids |
용도
용도
Tri-n-hexylamine is used as an extractant during isolation and purification of succinic acid from an escherichia coli fermentation broth in pharmaceutical industry. It is also used as an internal standard in screening of human hair specimens for designer drugs by ion mobility spectrometry. Further, it is involved in the synthesis of zinc oxide nanorods. In addition to this, it is used in the preparation of infrared luminescence nanohybrid films.