기본 정보
- CAS
1115-30-6- 표준 SMILES
CCOC(=O)CC(C(C)=O)C(=O)OCC- InChIKey
DVSDDICSXBCMQJ-UHFFFAOYSA-N- 분자식
- C10H16O5
- 평균 분자량
- 216.23 g/mol
- 단동위원소 질량
- 216.09977361
이름 및 식별자
- 우선 이름
- Butanedioic acid, 2-acetyl-, 1,4-diethyl ester
- IUPAC
- diethyl 2-acetylbutanedioate
- 영어명
- Diethyl acetylsuccinate
- 분자식
- C10H16O5
- 분자량
- 216.23
이름 및 동의어
Diethyl 2-acetylsuccinate1115-30-6NSC 233EINECS 214-223-8Butanedioic acid, 2-acetyl-, 1,4-diethyl esterAI3-05620DTXSID60870842RefChem:122038DTXCID60818527DVSDDICSXBCMQJ-UHFFFAOYSA-NDiethyl acetylsuccinatediethyl 2-acetylbutanedioate
이름 더 보기
DEASAKOS MSC-0249DIETHYL ACETYLSUCCINATESDiethyl acetylsuccinate,99%
Diethyl acetosuccinateButanedioic acid, acetyl-, diethyl esterEthyl acetylsuccinateAcetylsuccinic acid diethyl esterMFCD00009157Succinic acid, acetyl-, diethyl ester1,4-diethyl 2-acetylbutanedioateDiethyl-2-acetylsuccinate
데이터베이스 식별자
- CAS
1115-30-6- PubChem CID
- 66197
- DTXSID
DTXSID60870842- EC Number
- 214-223-8
- Nikkaji
- J134.660A
물성
구조 계산 물성
- XLogP
- 0.6
- 극성 표면적
- 69.7 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 15
- 형식 전하
- 0
- 복잡도
- 246
물리화학적 성질
- 녹는점
- -8 °C · -8 °C
- 끓는 점
- 180 · 180-183 °C/50 mmHg (lit.)
- 밀도
- 1.081 g/mL · 1.081 g/mL at 25 °C (lit.)
- 증기압
- 2.8 Pa · 2.8Pa at 25℃
- 굴절률
- 20 · n20/D 1.435(lit.)
- 인화점
- 230 °F · >230 °F
- 저장 조건
- Sealed in dry,Room Temperature
- 물리적 상태
- 액체
- 산도 계수 (pKa)
- 10.63 · 10.63±0.59(Predicted)
- 색상
- 약간 노란색으로 맑음
- 수용성
- 15 g/L · 15g/L at 20℃
- InChI
- 1S/C10H16O5/c1-4-14-9(12)6-8(7(3)11)10(13)15-5-2/h8H,4-6H2,1-3H3
- InChIKey
- DVSDDICSXBCMQJ-UHFFFAOYSA-N
- SMILES
- CCOC(=O)CC(C(C)=O)C(=O)OCC
- LogP
- 0.25 · 0.25
- EPA
- Butanedioic acid, acetyl-, diethyl ester (1115-30-6)
화학적 성질
CLEAR SLIGHTLY YELLOW LIQUID
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 100% (6 of 6) of all reports.
Not Classified；Reported as not meeting GHS hazard criteria by 6 of 6 companies. For more detailed information, please visit ECHA C&L website.
Aggregated GHS information provided per 6 reports by companies from 1 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 6 of 6 reports by companies.；There are 0 notifications provided by 0 of 6 reports by companies with hazard statement code(s).；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.
유해성 정보
Regulatory InformationStatus: Active Update: 23-01-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/18399
Hazard Classes and CategoriesNot Classified
규제 정보
Regulatory InformationStatus: Active Update: 23-01-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/18399
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- HS 번호
- 29183000
- safety_code
- 24/25
- 위험 등급
- IRRITANT
- 기존화학 물질
- KE-00111
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
용도 및 제조
General Manufacturing InformationButanedioic acid, 2-acetyl-, 1,4-diethyl ester: ACTIVE
응용 분야
용도Diethyl 2-Acetylsuccinate functions as a reagent in the synthesis of Coumarin and Coumarin-3-acetic acid derivatives that exhibites antimicrobial activities against variety of gram positive and gram negative bacteria.
상·하류 제품 정보
하류 제품
공급사64 곳
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
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韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
Aladdin Scientific[email protected]
Syntechem Co.,Ltd[email protected]
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