Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
디메틸시클로헥실아민
N,N다이메틸사이클로헥실아민 · N,N-다이메틸아민사이클로헥세인 · 디메틸시클로헥실아민 · N,N-디메틸시클로헥실아민 · DMCHA · Dimethylcyclohexylamine · PC8 · CYCLOHEXYLDIMETHYLAMINE
식별자 및 물리적 특성
| CAS No. | 98-94-2 |
|---|---|
| 분자식 | C8H17N |
| 평균 분자량 | 127.23 g/mol |
| 단동위원소 질량 | 127.13609954 g/mol |
| SMILES | CN(C)C1CCCCC1 |
| InChIKey | SVYKKECYCPFKGB-UHFFFAOYSA-N |
| PubChem CID | 7415 |
| ChEMBL | CHEMBL3186662 |
| ChEBI | CHEBI:59022 |
| EC No. | 202-715-5 |
| DTXSID | DTXSID9026633 |
| 현지명 | 디메틸시클로헥실아민 |
화학 및 물리적 성질
| XLogP | 1.9 |
|---|---|
| 극성 표면적 | 3.2 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 1 |
| 무거운 원자 수 | 9 |
| 형식 전하 | 0 |
| 복잡도 | 72.6 |
| 물질 분류 | Nitrogen Compounds -> Amines, AliphaticCorrosives |
| SpringerMaterials Properties | 15N nuclear magnetic resonance spectrum |
| LogP(분배 계수) | 2.01 |
| 밀도 | 0.849 at 68 °F (USCG, 1999) - Less dense than waterwill float0.8490 @ 20 °C/20 °CRelative density (water = 1): 0.850.8490 @ 20°C0.849 g/mL at 25 °C (lit.) |
| Color/Form | WATER-WHITE LIQ |
| 용해도 | PARTLY SOL IN WATERMISCIBLE WITH ALC, BENZENE, ACETONESolubility in water, g/100ml: 2010g/L(20°C) |
| 인화점 | 108 °F (USCG, 1999)110 °F OC42.2 °C c.c. |
| 끓는 점 | 323.6 °F at 760 mmHg (USCG, 1999)162-165 °C158-159 °C (lit.) |
| 녹는점 | FP: BELOW -77 °C-60 °C |
| 증기 밀도 | Relative vapor density (air = 1): 4.4 |
| 증기압 | 3.0 [mmHg]Vapor pressure, kPa at 25 °C: 0.43.6 [mm Hg] @20 °C3.6 mm Hg ( 20 °C) |
| Food Contact Substances | FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR |
| 굴절률 | n20/D 1.454(lit.) |
| 저장 조건 | Store below +30°C. |
| 물리적 상태 | 액체 |
| pKa(산도 계수) | pK1:10.72(+1) (25°C) |
| 색상 | 투명한 |
| pH | 12 (5g/l, H2O, 20℃) |
| 폭발한계 | 3.6-19%(V) |
| 용해도 | 10g/L(20℃) |
| BRN | 1919922 |
| 헨리 상수 | 4.2×10-1 mol/(m3Pa) at 25℃, Altschuh et al. (1999) |
| 유전율 | 2.8599999999999999 |
| InChI | 1S/C8H17N/c1-9(2)8-6-4-3-5-7-8/h8H,3-7H2,1-2H3 |
| InChIKey | SVYKKECYCPFKGB-UHFFFAOYSA-N |
| SMILES | CN(C)C1CCCCC1 |
| LogP(분배 계수) | 2.31 at 25℃ |
| NIST | Cyclohexanamine, N,N-dimethyl-(98-94-2) |
| EPA | N,N-Dimethylcyclohexylamine (98-94-2) |
화학적 성질
CLEAR LIQUID
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 14.6% (68 of 466) of reports.DangerH226 (85.2%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P264+P265, P270, P271, P273, P280, P284, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P320, P321, P330, P361+P364, P363, P370+P378, P391, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 466 reports by companies from 27 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | Chemical: Cyclohexanamine, N,N-dimethyl-Cyclohexanamine, N,N-dimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Cyclohexanamine, N,N-dimethyl- 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: 28-02-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/13521Cyclohexyldimethylamine: Does not have an individual approval but may be used under an appropriate group standardThe New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.) |
| 운송 라벨(DOT) | Corrosive Flammable Liquid |
| 화재 위험 | Behavior in Fire: Dangerous when exposed to heat or flame. Can react vigorously with oxidizing materials. (USCG, 1999)· Flammable/combustible material.Flammable. Gives off irritating or toxic fumes (or gases) in a fire. Above 42.2 °C explosive vapour/air mixtures may be formed. |
| 건강 유해성 | Inhalation of high concentration of vapor will will produce irritation of the respiratory tract and lungs. Inhalation of large quantities of vapor may be fatal. (USCG, 1999)· May cause toxic effects if inhaled or ingested. |
| 유해성 요약 | A corrosive substance that can cause injury to the skin, eyes, and respiratory tractInhalation may cause pulmonary edemaCan be absorbed through skin |
용도
용도
Dimethylcyclohexylamine is used in polyurethane plastics and textiles and as a chemical intermediate.
일반 설명
Colorless liquid with a musky ammonia odor. Less dense than water.
제조 및 합성 방법
생산 방법
N,N-Dimethylcyclohexylamine is manufactured either by the reaction of methyl chloride or formaldehyde and hydrogen with cyclohexylamine (HSDB 1989).