네오펜틸글리콜,1,4-디메탄올시클로헥산,무수트리멜리트산,테레프탈산,3-히드록시-2,2-디메틸프로필3-히드록시-2,2-디메틸프로파노에이트,이소프탈산중합체
Benzene-1,3-dicarboxylic acid;2,2-dimethylpropane-1,3-diol;1,3-dioxo-2-benzofuran-5-carboxylic acid;(3-hydroxy-2,2-dimethylpropyl) 3-hydroxy-2,2-dimethylpropanoate;[4-(hydroxymethyl)cyclohexyl]methanol;terephthalic acid
기본 정보
- CAS
68922-25-8- 표준 SMILES
CC(C)(CO)CO.CC(C)(CO)COC(=O)C(C)(C)CO.O=C(O)c1ccc(C(=O)O)cc1.O=C(O)c1ccc2c(c1)C(=O)OC2=O.O=C(O)c1cccc(C(=O)O)c1.OCC1CCC(CO)CC1- InChIKey
QBIAVLRBKKYZTR-UHFFFAOYSA-N- 분자식
- C48H64O21
- 평균 분자량
- 977 g/mol
이름 및 식별자
- 우선 이름
- Benzene-1,3-dicarboxylic acid;2,2-dimethylpropane-1,3-diol;1,3-dioxo-2-benzofuran-5-carboxylic acid;(3-hydroxy-2,2-dimethylpropyl) 3-hydroxy-2,2-dimethylpropanoate;[4-(hydroxymethyl)cyclohexyl]methanol;terephthalic acid
- IUPAC
- benzene-1,3-dicarboxylic acid;2,2-dimethylpropane-1,3-diol;1,3-dioxo-2-benzofuran-5-carboxylic acid;(3-hydroxy-2,2-dimethylpropyl) 3-hydroxy-2,2-dimethylpropanoate;[4-(hydroxymethyl)cyclohexyl]methanol;terephthalic acid
- 현지명
- 네오펜틸글리콜,1,4-디메탄올시클로헥산,무수트리멜리트산,테레프탈산,3-히드록시-2,2-디메틸프로필3-히드록시-2,2-디메틸프로파노에이트,이소프탈산중합체
- 영어명
- Neopentyl glycol, 1,4-dimethanolcyclohexane, trimellitic anhydride,terephthalic acid, 3-hydroxy-2,2-dimethylpropyl 3-hydroxy-2,2-dimethylpropanoate, isophthalic acid polymer
- 분자식
- C48H64O21
- 분자량
- 977.02
이름 및 동의어
네오펜틸글리콜,1,4-디메탄올시클로헥산,무수트리멜리트산,테레프탈산,3-히드록시-2,2-디메틸프로필3-히드록시-2,2-디메틸프로파노에이트,이소프탈산중합체Neopentyl glycol, 1,4-dimethanolcyclohexane, trimellitic anhydride,terephthalic acid, 3-hydroxy-2,2-dimethylpropyl 3-hydroxy-2,2-dimethylpropanoate, isophthalic acid polymer1,3-Benzenedicarboxylic acid, polymer with 1,4-benzenedicarboxylic acid, 1,4-cyclohexanedimethanol, 1,3-dihydro-1,3-dioxo-5-isobenzofurancarboxylic acid, 2,2-dimethyl-1,3-propanediol and 3-hydroxy-2,2-dimethylpropyl 3-hydroxy-2,2-dimethylpropanoate
데이터베이스 식별자
- CAS
68922-25-8
물성
구조 계산 물성
- 극성 표면적
- 378 Ų
- 수소 결합 공여자 수
- 11
- 수소 결합 수용자 수
- 21
- 회전 가능 결합 수
- 15
- 무거운 원자 수
- 69
- 형식 전하
- 0
- 복잡도
- 970
물리화학적 성질
- EPA
- 1 · 1,3-Benzenedicarboxylic acid, polymer with 1,4-benzenedicarboxylic acid, 1,4-cyclohexanedimethanol, 1,3-dihydro-1,3-dioxo-5-isobenzofurancarboxylic acid, 2,2-dimethyl-1,3-propanediol and 3-hydroxy-2,2-dimethylpropyl 3-hydroxy-2,2-dimethylpropanoate (68922-25-8)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- tsca
- TSCA listed
- 기존화학 물질
- 2010-3-4267
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…