기본 정보
- CAS
636-53-3- 표준 SMILES
CCOC(=O)c1cccc(C(=O)OCC)c1- InChIKey
JLVWYWVLMFVCDI-UHFFFAOYSA-N- 분자식
- C12H14O4
- 평균 분자량
- 222.24 g/mol
- 단동위원소 질량
- 222.08920892
이름 및 식별자
- 우선 이름
- Diethyl isophthalate
- IUPAC
- diethyl benzene-1,3-dicarboxylate
- 현지명
- 디에틸이소프탈레이트
- 영어명
- DIETHYL ISOPHTHALATE
- 분자식
- C12H14O4
- 분자량
- 222.24
이름 및 동의어
DIETHYL ISOPHTHALATE636-53-31,3-Benzenedicarboxylic acid, diethyl esterIsophthalic acid, diethyl esterHSDB 5732EINECS 211-260-1E1QJK560FYNSC 249815BRN 2052705NSC-249815DTXSID5027277DIETHYL ISOPHTHALATE [HSDB]
이름 더 보기
디에틸이소프탈레이트DEIPEthyl isophthalateDiethylm-phthalateRARECHEM AL BI 0071Isophthalic acid diethylisophthalicaciddiethylesterisophthalicacid,diethylester
1,3-Benzenedicarboxylic acid, 1,3-diethyl esterRefChem:587234DTXCID0072771,3Benzenedicarboxylic acid, diethyl ester211-260-1Diethyl m-phthalatediethyl benzene-1,3-dicarboxylateDiethyl isophthlate
데이터베이스 식별자
- CAS
636-53-3- PubChem CID
- 12491
- DTXSID
DTXSID5027277- UNII
- E1QJK560FY
- EC Number
- 211-260-1
- Nikkaji
- J79.774J
물성
구조 계산 물성
- XLogP
- 2.9
- 극성 표면적
- 52.6 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 16
- 형식 전하
- 0
- 복잡도
- 225
실험 및 물리화학적 성질
PolymersPlastics & Rubber -> Phthalate Esters
SpringerMaterials PropertiesBoiling point
Density1.1239 @ 17 °C/4 °C
SolubilityINSOL IN WATER
Boiling Point302 °C @ 760 MM HG
Melting Point11.5 °C
Refractive IndexINDEX OF REFRACTION: 1.508 @ 18 °C/D
Physical DescriptionLiquid (mp = 11.5 deg C); [ChemIDplus]
물리화학적 성질
- 녹는점
- 11.5 °C · 11.5°C
- 끓는 점
- 302 °C · 302°C (estimate)
- 밀도
- 1.1239 · 1.1239
- 굴절률
- 1.508 · 1.5080 (estimate)
- 저장 조건
- Sealed in dry,Room Temperature
- Henry's Law Constant
- 2.5 · 2.5×101 mol/(m3Pa) at 25℃, Zhang et al. (2010)
- EPA
- Diethyl isophthalate (636-53-3)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
유해성 정보
Hazards SummaryIntraperitoneal LDLo (mouse) = 1111 mg/kg; (Effects at lethal doses include somnolence and decreased activity.) [ChemIDplus] See PHTHALATE ESTERS.
Clean Water Act RequirementsToxic pollutant designated pursuant to section 307(a)(1) of the Clean Water Act and is subject to effluent limitations. /Phthalate esters/
독성 정보
Adverse EffectsOccupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.
Non-Human Toxicity Excerpts
PHTHALATES, ISOPHTHALATES, & TEREPHTHALATES, OF WHICH SOME HAVE BEEN EMPLOYED AS PLASTICIZERS, WERE SYNTHESIZED & PURIFIED. TOXICITY TESTS WERE CONDUCTED, USING MAMMALIAN CELL CULTURES & LIMITED MOUSE STUDIES. THE LOW-MOLECULAR WEIGHT ESTERS & THEIR ISOMERS MANIFESTED TOXIC RESPONSES, WHILE THE ESTERS CONTAINING ALKYL GROUPS C6 TO C9 WERE DEVOID OF TOXIC EFFECT. THE RESULTS INDICATED THE NEED FOR GOOD QUALITY CONTROL PROCEDURES TO PREVENT THE ACCESS OF POTENTIALLY TOXIC PLASTICIZERS IN DEVICES FOR MEDICAL & PARAMEDICAL APPLICATIONS. DIETHYL ISOPHTHALATE CAUSED DEATH IN MICE L-CELLS & CHICK EMBRYO CELLS, & EXERTED A DEPRESSANT EFFECT, INDUCED OBSERVABLE PTOSIS, & CAUSED DEATH IN MICE AFTER IP ADMIN OF 5 MMOLE/KG.
규제 정보
Clean Water Act RequirementsToxic pollutant designated pursuant to section 307(a)(1) of the Clean Water Act and is subject to effluent limitations. /Phthalate esters/
안전 데이터
- tsca
- TSCA listed
- 기존화학 물질
- KE-10486
- 유해 물질 데이터
- 636-53-3(Hazardous Substances Data)
화학 및 산업
용도 및 제조
Uses
Used as plasticizer; [HSDB]
PLASTICIZER
U.S. Production
(1979) PROBABLY GREATER THAN 2.27X10+6 GRAMS
(1981) PROBABLY GREATER THAN 2.27X10+6 GRAMS
Methods of ManufacturingESTERIFICATION OF ISOPHTHALIC ACID WITH ETHYL ALCOHOL
General Manufacturing Information1,3-Benzenedicarboxylic acid, 1,3-diethyl ester: INACTIVE
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