기본 정보
- 표준 SMILES
COC(=O)CCC(=O)OC.COC(=O)CCCC(=O)OC.COC(=O)CCCCC(=O)OC- InChIKey
QYMFNZIUDRQRSA-UHFFFAOYSA-N- 분자식
- C21H36O12
- 평균 분자량
- 480.5 g/mol
- 단동위원소 질량
- 480.22067658
이름 및 식별자
- 우선 이름
- Hexanedioic acid, 1,6-dimethyl ester, mixt. with 1,4-dimethyl butanedioate and 1,5-dimethyl pentanedioate
- IUPAC
- dimethyl butanedioate;dimethyl hexanedioate;dimethyl pentanedioate
- 현지명
- 이염 기성 에스테르
- 영어명
- DIBASIC ESTER
- 분자식
- C21H36O12
- 분자량
- 480.51
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
95481-62-2- PubChem CID
- 125339
- EC Number
- 619-131-5、937-156-2
물성
구조 계산 물성
- 극성 표면적
- 158 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 12
- 회전 가능 결합 수
- 18
- 무거운 원자 수
- 33
- 형식 전하
- 0
- 복잡도
- 374
물리화학적 성질
- 녹는점
- -20 °C · -20°C
- 끓는 점
- 196 · 196-225 °C(lit.)
- 밀도
- 1.19 g/mL · 1.19 g/mL at 25 °C(lit.)
- 증기압
- 0.2 mm · 0.2 mm Hg ( 20 °C)
- 굴절률
- 20 · n20/D 1.424(lit.)
- 인화점
- 212 °F · 212 °F
- 저장 조건
- 30 °C · Store below +30°C.
- 물리적 상태
- liquid
- 폭발한계
- 8 % · 8%
- 수용성
- 53 g/L · 53g/L
- InChI
- InChI=1S/C8H14O4.C7H12O4.C6H10O4/c1-11-7(9)5-3-4-6-8(10)12-2;1-10-6(8)4-3-5-7(9)11-2;1-9-5(7)3-4-6(8)10-2/h3-6H2,1-2H3;3-5H2,1-2H3;3-4H2,1-2H3
- InChIKey
- QYMFNZIUDRQRSA-UHFFFAOYSA-N
- SMILES
- C(=O)(OC)CCC(=O)OC.C(C(=O)OC)CCCC(=O)OC.C(C(=O)OC)CCC(=O)OC
- EPA
- Hexanedioic acid, dimethyl ester, mixt. with dimethyl butanedioate and dimethyl pentanedioate (95481-62-2)
안전 및 규제
GHS 분류
GHS Classification
Warning
H302 (93.3%): 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 15 reports by companies from 2 notifications to the ECHA C&L Inventory.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Not Classified;Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.
유해성 정보
Regulatory Information
Hexanedioic acid, dimethyl ester, mixt. with dimethyl butanedioate and dimethyl pentanedioate is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Hexanedioic acid, dimethyl ester, mixt. with dimethyl butanedioate and dimethyl pentanedioate 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)
Hazard Classes and Categories
Acute Tox. 4 (93.3%)
Not Classified
규제 정보
Regulatory Information
Hexanedioic acid, dimethyl ester, mixt. with dimethyl butanedioate and dimethyl pentanedioate is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Hexanedioic acid, dimethyl ester, mixt. with dimethyl butanedioate and dimethyl pentanedioate 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)
안전 데이터
- wgk
- 3
- ridadr
- UN 3265 8/PG 3
- HS 번호
- 3824 99 92
- risk_code
- 38-41-36-36/37/38-3
- hazard_code
- Xi,E
- safety_code
- 26-36-39-35
- 자연 발화 온도
- 698 °F
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
용도 및 제조
응용 분야
용도이염 기성 에스테르는 스트리퍼, 코팅제, 가소제, 수지, 용제 및 접착제를 페인트하는 데 사용됩니다.
용도Dibasic ester was commonly used as lubricants, solvents, plasticizers, additives, and spin finishes. It acts as a coating agent for magnet and enamel wires, magnetic memory discs, automobiles, coils, cans, sheets, industrial paint, et cetera.
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