디(2-에틸헥실)프탈레이트
DOP · 디(2-에틸헥실)프탈레이트 · 디옥틸프탈레이트(DOP) · 디프탈산(D.O.P) · 비스(2-에틸헥실)프탈레이트 · 다이에틸헥실프탈레이트 · 비스(2-에틸헥실) 프탈레이트 · 2-에틸헥실프탈레이트

식별자 및 물리적 특성
| CAS No. | 117-81-7 |
|---|---|
| 분자식 | C24H38O4 |
| 평균 분자량 | 390.6 g/mol |
| 단동위원소 질량 | 390.2770097 g/mol |
| SMILES | CCCCC(CC)COC(=O)c1ccccc1C(=O)OCC(CC)CCCC |
| InChIKey | BJQHLKABXJIVAM-UHFFFAOYSA-N |
| PubChem CID | 8343 |
| ChEMBL | CHEMBL1242017 |
| ChEBI | CHEBI:17747 |
| EC No. | 204-211-0 |
| DTXSID | DTXSID5020607 |
| 현지명 | 디(2-에틸헥실)프탈레이트 |
화학 및 물리적 성질
| XLogP | 7.4 |
|---|---|
| 극성 표면적 | 52.6 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 4 |
| 회전 가능 결합 수 | 16 |
| 무거운 원자 수 | 28 |
| 형식 전하 | 0 |
| 복잡도 | 394 |
| 물질 분류 | Hazardous Air Pollutants (HAPs)CarcinogensPhthalateSemi-Volatile Organic Compound (SVOC) |
| Polymers | Plastics -> PURPVC (soft)ABS(E)PSPlastics -> Plasticisers |
| 농약 | Pesticide -> EPA IRIS |
| LogP(분배 계수) | log Kow = 7.605.037.3 |
| 냄새 | Slight odor아주 약간, 특징적입니다. |
| Plasticizers | Plasticizers |
| 밀도 | 0.98 at 77 °F (USCG, 1999) - Less dense than waterwill float0.981 g/cu cm at 25 °CRelative density (water = 1): 0.9860.990.981 @25 °C0.985 g/mL at 20 °C (lit.) |
| Viscosity | 22 cSt at 20 °C386 cSt at 0 °C5 cSt at 100 °C |
| Color/Form | LiquidColorless, oily liquid |
| 용해도 | less than 0.1 mg/mL at 72 °F (NTP, 1992)In water, 2.70X10-1 mg/L at 25 °CLESS THAN 0.01% IN WATER @ 25 °CSoluble in blood and fluids containing lipoproteinsMISCIBLE WITH MINERAL OIL & HEXANESlightly soluble in carbon tetrachloride미네랄 오일 및 헥산과 혼합 가능(US EPA, 1985) |
| 인화점 | 405 °F (NTP, 1992)420 °F (215 °C) (Open cup)215 °C o.c.420 °F (open cup)(oc) 420 °F |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| 녹는점 | -50 °C |
| 끓는 점 | 386 °C (lit.) |
| 증기 밀도 | >16 (vs air) |
| Pour Point | -46 |
| 증기압 | 1.2 mm Hg ( 93 °C) |
| 굴절률 | n20/D 1.488 |
| 저장 조건 | 2-8°C |
| 물리적 상태 | 액체 |
| 색상 | APHA: ≤10 |
| 용해도 | 무시할 만한 |
| 비열 | Cp(liquid): 1.8 J/(g·K), at 25℃ |
| Merck | 14,2864 |
| BRN | 1890696 |
| 헨리 상수 | (x 10-5 atmm3/mol): 1.1 at 25 °C (calculated, Howard, 1989) |
| 유전율 | 5.1(24℃) |
| 화장품 원료 기능 | 가소제향수용제향기 |
| InChI | 1S/C24H38O4/c1-5-9-13-19(7-3)17-27-23(25)21-15-11-12-16-22(21)24(26)28-18-20(8-4)14-10-6-2/h11-12,15-16,19-20H,5-10,13-14,17-18H2,1-4H3 |
| InChIKey | BJQHLKABXJIVAM-UHFFFAOYSA-N |
| SMILES | CCCCC(CC)COC(=O)c1ccccc1C(=O)OCC(CC)CCCC |
| LogP(분배 계수) | 7.5 at 20℃ |
| NIST | Bis(2-ethylhexyl)phthalate(117-81-7) |
| EPA | Di(2-ethylhexyl) phthalate (117-81-7) |
화학적 성질
Bis(2-ethylhexyl)phthalate is a colorless liquid with a slight odor. It is miscible with mineral oil and hexane, and soluble in most organic solvents. Bis(2-ethylhexyl)phthalate is insoluble in water (NTP, 1994a).
안전 및 규제
| GHS 분류 | DangerH360FD: May damage fertilityMay damage the unborn child [Danger Reproductive toxicity]P203, P280, P318, P405, and P501 (click each P-code to see the statement)This chemical does not meet GHS hazard criteria for < 0.1% (1 of 1071) of reports.H360 (94.5%): May damage fertility or the unborn child [Danger Reproductive toxicity] |
|---|---|
| 규제 정보 | Chemical: 1,2-Benzenedicarboxylic acid, 1,2-bis(2-ethylhexyl) esterHazard Traits - BioaccumulationCarcinogenicityDevelopmental ToxicityEndocrine ToxicityEnvironmental PersistenceHepatotoxicity and Digestive System ToxicityImmunotoxicityReproductive ToxicityRespiratory ToxicityRegulation (EC) No 178/2002 (amended)1,2-Benzenedicarboxylic acid, 1,2-bis(2-ethylhexyl) ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,2-Benzenedicarboxylic acid, 1,2-bis(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: 19-01-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/15358Restricted substance: Bis (2-ethylhexyl) phthalate (DEHP) |
| 기타 안전 정보 | IMAP assessments - Phthalate esters: Environment tier II assessment |
| 화재 위험 | Special Hazards of Combustion Products: Irritating vapors and toxic gases, such as carbon dioxide and carbon monoxide, may be formed when involved in fire.Combustible. Gives off irritating or toxic fumes (or gases) in a fire. |
| 건강 유해성 | Inhalation can cause nausea and irritation of nose and throat. Contact of liquid with eyes or skin causes irritation. Ingestion can cause abdominal cramps, nausea and diarrhea. (USCG, 1999) |
| 유해성 요약 | Di(2-ethylhexyl) phthlate (DEHP) is a manufactured chemical that is commonly added to plastics to make them flexible. DEHP is a colorless liquid with almost no odor. DEHP is present in plastic products such as wall coverings, tablecloths, floor tiles, furniture upholstery, shower curtains, garden hoses, swimming pool liners, rainwear, baby pants, dolls, some toys, shoes, automobile upholstery and tops, packaging film and sheets, sheathing for wire and cable, medical tubing, and blood storage bags. |
용도
용도
예전에는 살충제로 사용되었으나 현재는 살충제의 성분으로 사용을 금하고 있는 물질이다. 천연고무나 합성고무의 성분이 되고, 플라스틱 제조 시 가소제로 사용된다. 또한 사진필름이나 케이블이나 전선, 접착제의 성분으로도 사용된다. Bis(2-ethylhexyl)phthalate는 무색의 유성의 액체이고, 약간의 냄새가 나는 물질이다. 또한 혈액이나 지방단백질을 함유한 유체에 용해되는 특성을 가진다.
용도
Bis(2-ethylhexyl) phthalate is commonly used plasticizing agent for PVCs, which as such is a component of blood bank bags, surgical tubing, and other products including food wrappers and children’s toys.
일반 설명
Colorless to pale yellow oily liquid. Nearly odorless.
제조 및 합성 방법
생산 방법
DEHP is commercially produced via esterification of phthalic acid anhydride and 2-ethylhexanol. Esterification is completed with an acid or metal catalyst or with no catalyst at high temperature.