기본 정보
- CAS
16883-83-3- 표준 SMILES
CC(C)C(=O)OCC(C)(C)C(OC(=O)c1ccccc1C(=O)OCc1ccccc1)C(C)C- InChIKey
HPZSSCRWFLKGOG-UHFFFAOYSA-N- 분자식
- C27H34O6
- 평균 분자량
- 454.6 g/mol
- 단동위원소 질량
- 454.2355388
이름 및 식별자
- 우선 이름
- Benzyl (1-(isobutyryloxy)-2,2,4-trimethylpentan-3-yl) phthalate
- IUPAC
- 1-O-benzyl 2-O-[2,2,4-trimethyl-1-(2-methylpropanoyloxy)pentan-3-yl] benzene-1,2-dicarboxylate
- 현지명
- 2,2-디메틸-1-(1-메틸에틸-3-(2-메틸-1-옥시프로폭시)프로필 페닐메틸-1,2-벤젠디카복실산
- 영어명
- 3-Hydroxy-2,2,4-triMethylpentyl Ester Benzyl Phthalate
- 분자식
- C27H34O6
- 분자량
- 454.56
이름 및 동의어
16883-83-3Benzyl (1-(isobutyryloxy)-2,2,4-trimethylpentan-3-yl) phthalateBenzyl 3-isobutyryloxy-1-isopropyl-2,2-dimethylpropyl phthalateEINECS 240-920-1NUV6UJ70241,2-Benzenedicarboxylic acid, 2,2-dimethyl-1-(1-methylethyl)-3-(2-methyl-1-oxopropoxy)propyl phenylmethyl esterDTXSID4027785Benzyl 2,2-dimethyl-1-isopropyl-3-(2-methyl-1-oxopropoxy)propyl phthalate1,2-Benzenedicarboxylic acid, 1-(2,2-dimethyl-1-(1-methylethyl)-3-(2-methyl-1-oxopropoxy)propyl) 2-(phenylmethyl) esterPhthalic acid, benzyl 3-hydroxy-1-isopropyl-2,2-dimethylpropyl ester isobutyrate1,3-PENTANEDIOL, 2,2,4-TRIMETHYL-, 3-(BENZYL PHTHALATE) ISOBUTYRATEISOBUTYRIC ACID, 3-HYDROXY-2,2,4-TRIMETHYLPENTYL ESTER BENZYL PHTHALATE
이름 더 보기
2,2-다이메틸-1-(1-메틸에틸-3-(2-메틸-1-옥시프로폭시)프로필페닐메틸-1,2-벤젠디카복실산2,2-디메틸-1-(1-메틸에틸-3-(2-메틸-1-옥시프로폭시)프로필페닐메틸-1,2-벤젠디카복실산2,2-다이메틸-1-(1-메틸에틸-3-(2-메틸-1-옥시프로폭시)프로필페닐메틸-1,2-벤젠디카복실산(2,2-...벤질3-이소부티릴옥시-1-이소프로필-2,2-디메틸프로필프탈레이트
물성
구조 계산 물성
- XLogP
- 6.6
- 극성 표면적
- 78.9 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 13
- 무거운 원자 수
- 33
- 형식 전하
- 0
- 복잡도
- 647
실험 및 물리화학적 성질
Endocrine DisruptorsPotential endocrine disrupting compound
Physical DescriptionLiquid
물리화학적 성질
- 끓는 점
- 533.1 · 533.1±35.0 °C(Predicted)
- 밀도
- 1.102 · 1.102±0.06 g/cm3(Predicted)
- EPA
- 2 · Benzyl 2,2-dimethyl-1-isopropyl-3-(2-methyl-1-oxopropoxy)propyl phthalate (16883-83-3)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 96.6% (85 of 88) of all reports.
Not Classified
Aggregated GHS information provided per 88 reports by companies from 2 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: 1,2-Benzenedicarboxylic acid, 2,2-dimethyl-1-(1-methylethyl)-3-(2-methyl-1-oxopropoxy)propyl phenylmethyl ester
1,2-Benzenedicarboxylic acid, 1-[2,2-dimethyl-1-(1-methylethyl)-3-(2-methyl-1-oxopropoxy)propyl] 2-(phenylmethyl) ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,2-Benzenedicarboxylic acid, 1-[2,2-dimethyl-1-(1-methylethyl)-3-(2-methyl-1-oxopropoxy)propyl] 2-(phenylmethyl) 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)
1,2-Benzenedicarboxylic acid, 2,2-dimethyl-1-(1-methylethyl)-3-(2-methyl-1-oxopropoxy)propyl phenylmethyl ester: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesNot Classified
안전 데이터
- tsca
- TSCA listed
- 기존화학 물질
- KE-28732
화학 및 산업
용도 및 제조
U.S. Production2023: 5,000,000 - <10,000,000 lb
Consumer UsesPlasticizer
Industry UsesPlasticizer
General Manufacturing Information
Plastics Product Manufacturing
1,2-Benzenedicarboxylic acid, 1-[2,2-dimethyl-1-(1-methylethyl)-3-(2-methyl-1-oxopropoxy)propyl] 2-(phenylmethyl) ester: ACTIVE
응용 분야
용도3-Hydroxy-2,2,4-trimethylpentyl Ester Benzyl Phthalate is used as a plasticizer in the synthesis of rubber materials and PVC.
공급사10 곳
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
上海陶素生化科技有限公司021-33632979 · [email protected]
上海马氏化学科技有限公司19916721580 · [email protected]
河南天孚化工有限公司+86-0371-55170693 +86-19937530512 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
Alchem Pharmtech,Inc.
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