Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
디노닐 프탈산염
디노닐프탈산염 · 다이노닐프탈레이트 · 다이-n-노닐 프탈레이트 · 다이-n-노닐프탈레이트(dnnp) · 다이노닐 1,2-벤젠다이카르복실레이트 · 다이트라이메틸헥실 프탈레이트 · 비소플렉스 91 · 비소플렉스 dnp
식별자 및 물리적 특성
| CAS No. | 84-76-4 |
|---|---|
| 분자식 | C26H42O4 |
| 평균 분자량 | 418.6 g/mol |
| 단동위원소 질량 | 418.30830982 g/mol |
| SMILES | CCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCC |
| InChIKey | DROMNWUQASBTFM-UHFFFAOYSA-N |
| PubChem CID | 6787 |
| ChEMBL | CHEMBL3186308 |
| EC No. | 201-560-0 |
| DTXSID | DTXSID9047966 |
| 현지명 | 디노닐 프탈산염 |
화학 및 물리적 성질
| XLogP | 10.1 |
|---|---|
| 극성 표면적 | 52.6 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 4 |
| 회전 가능 결합 수 | 20 |
| 무거운 원자 수 | 30 |
| 형식 전하 | 0 |
| 복잡도 | 395 |
| 물질 분류 | Phthalate |
| Polymers | Plastics & Rubber -> Phthalate Esters |
| 밀도 | 0.97 (USCG, 1999) - Less dense than waterwill float0.972 at 20 °C0.98 g/mL at 20 °C(lit.) |
| Viscosity | 112 cP at 20 °C |
| Color/Form | Colorless liquid |
| 용해도 | Phthalate esters are soluble to various extents in many common organic solvents and oils, but have a relatively low solubility in water. /Phthalate esters/Insoluble in water |
| 인화점 | 420 °F (USCG, 1999)215 °C /(method not specified)/216°C |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| 끓는 점 | 775 °F at 760 mmHg (USCG, 1999)413 °C279-287 °C(lit.) |
| Decomposition | When heated to decomp it emits acrid smoke and irritating fumes. |
| 증기압 | 0.00000051 [mmHg]VP: 1 mm Hg at 205 °C |
| 굴절률 | Index of refraction: 1.4871 at 20 °C/Dn20/D 1.486 |
| 녹는점 | -33.15°C |
| 물리적 상태 | 기름진 액체 |
| 색상 | 맑은 황갈색 |
| 용해도 | <1g/L(20℃) |
| BRN | 1916263 |
| 헨리 상수 | 1.1×10-1 mol/(m3Pa) at 25℃, Cousins and Mackay (2000) |
| 유전율 | 4.5(45℃) |
| InChIKey | DROMNWUQASBTFM-UHFFFAOYSA-N |
| NIST | 1,2-Benzenedicarboxylic acid, dinonyl ester(84-76-4) |
| EPA | Dinonyl phthalate (84-76-4) |
화학적 성질
clear yellow-brown oily liquid
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 21.7% (5 of 23) of reports.WarningH302 (69.6%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 23 reports by companies from 4 notifications to the ECHA C&L Inventory. |
|---|---|
| 규제 정보 | Chemical: 1,2-Benzenedicarboxylic acid, dinonyl esterRegulation (EC) No 178/2002 (amended)Dinonyl phthalate: Does not have an individual approval but may be used under an appropriate group standard |
| 화재 가능성 | Combustible |
| 건강 유해성 | Moderately toxic by ingestion. (USCG, 1999) |
| 유해성 요약 | Rats exposed to saturated vapors (28 deg C) 6 hr/day for 12 days show no adverse effects. Rats exposed to 5 mL/kg/day for 7 days have CNS depression. Oral LD50 (rat) = 26 g/kgLike dioctyl phthalate, it may cause CNS depression and mild liver toxicity after ingestion of large amounts[HSDB] May cause irritation[MSDSonline] See PHTHALATE ESTERS. |
| 반응성 그룹 | Esters, Sulfate Esters, Phosphate Esters, Thiophosphate Esters, and Borate Esters |
| Special Reports | Nat'l Research Council CanadaPhthalate Esters in the Aquatic Environment (1980) NRCC No. 17583USEPAAmbient Water Quality Criteria Doc: Phthalate Esters (1980) EPA 440/5-80-067Woodward KN (ed)Phthalate Esters: Toxicity and Metabolism (1988)Environ Health Perspect 45: 1-210 (1982)For more Special Reports (Complete) data for DINONYL PHTHALATE (6 total), please visit the HSDB record page. |
| TSCA 요건 | Pursuant to section 8(d) of TSCA, EPA promulgated a model Health and Safety Data Reporting Rule. The section 8(d) model rule requires manufacturers, importers, and processors of listed chemical substances and mixtures to submit to EPA copies and lists of unpublished health and safety studies. 1,2-Benzenedicarboxylic acid, dinonyl ester is included on this list. Effective date 10/04/82Sunset date 10/04/92. |
용도
용도
Dinonyl Phthalate is a Phthalate derivative and an organic extract contaminant found in drinking water, which was shown to activate Nrf-2-Mediated Antioxidant response in human cell line.
일반 설명
Odorless colorless liquid.