(2S,3S)(-)-디히드록시부탄-1,4-이산디에틸에스테르

Diethyl [S-(R*,R*)]-tartrate

HCID 117410
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기본 정보

CAS
13811-71-7
표준 SMILES
CCOC(=O)[C@@H](O)[C@H](O)C(=O)OCC
InChIKey
YSAVZVORKRDODB-WDSKDSINSA-N
분자식
C8H14O6
평균 분자량
206.19 g/mol
단동위원소 질량
206.07903816

이름 및 식별자

우선 이름
Diethyl [S-(R*,R*)]-tartrate
IUPAC
diethyl (2S,3S)-2,3-dihydroxybutanedioate
현지명
(2S,3S)(-)-디히드록시부탄-1,4-이산디에틸에스테르
영어명
(2S,3S)(-)-Dihydroxybutane-1,4-dioic acid diethyl ester
분자식
C8H14O6
분자량
206.19

이름 및 동의어

(-)-diethyl tartrateDiethyl (S-(R*,R*))-tartrateEINECS 237-458-8Diethyl [S-(R*,R*)]-tartrateRefChem:587040237-458-813811-71-7(2S,3S)-Diethyl 2,3-dihydroxysuccinateDiethyl D-(-)-Tartrate(-)-Diethyl D-tartratediethyl D-tartratediethyl (2S,3S)-2,3-dihydroxybutanedioate
이름 더 보기
(2S,3S)(-)-디히드록시부탄-1,4-이산디에틸에스테르DETD-DETD-tartrateETHYL TARTRATED(-)diethyl tartarate(2R,3R)-diethyl 2,3-dihydroxysuccinate(2S,3S)(-)-Dihydroxybutane-1,4-dioic acid diethyl
D-(-)-Tartaric acid diethyl esterMFCD00064451diethyl (D)-tartrate(-)-DIETHYL-D-TARTRATEdiethyl (s,s)-tartrate(S,S)-diethyl tartratediethyl (-)-d-tartrateSCHEMBL112149

데이터베이스 식별자

CAS
13811-71-7、57968-71-5
PubChem CID
117410
UNII
3HB9XL6BGJ
EC Number
237-458-8
Nikkaji
J43.450G

물성

구조 계산 물성

XLogP
-0.3
극성 표면적
93.1 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
6
회전 가능 결합 수
7
무거운 원자 수
14

실험 및 물리화학적 성질

Collision Cross Section153.6 Ų [M+Na]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID6058689]

물리화학적 성질

녹는점
17 °C · 17 °C
끓는 점
162 °C/19 · 162 °C/19 mmHg (lit.)
밀도
1.205 g/mL · 1.205 g/mL at 20 °C (lit.)
굴절률
20 · n20/D 1.446(lit.)
인화점
200 °F · 200 °F
저장 조건
30 °C · Store below +30°C.

화학적 성질

Colorless to light yellow liqui

안전 및 규제

GHS 분류

GHS Classification · 3건

This chemical does not meet GHS hazard criteria for 95.8% (46 of 48) of all reports.

Not Classified；Reported as not meeting GHS hazard criteria by 46 of 48 companies (only 4.2% companies provided GHS information). For more detailed information, please visit ECHA C&L website.

Aggregated GHS information provided per 48 reports by companies from 3 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 46 of 48 reports by companies.；There are 2 notifications provided by 2 of 48 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: 29-04-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/17261
Hazard Classes and CategoriesNot Classified

규제 정보

Regulatory InformationStatus: Active Update: 29-04-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/17261

안전 데이터

wgk
3
HS 번호
29181300
risk_code
36/37/38
hazard_code
Xi
safety_code
24/25-36-26
위험 참고 사항
Irritant

화학 및 산업

응용 분야 · 1건

용도Diethyl D(-)-tartrate is mainly used in chiral pharmaceuticals, chiral intermediates and chiral catalysts. It can be used with titanium in enolic asymmetric epoxidization. The compound d-alpha-tocopherol is the principal compound present in natural vitamin E sources. At present, d-alpha-tocopherol and other tocopherol derivatives are used in pharmaceuticals, foods and animal feeds. It is used as a food additive.

상·하류 제품 정보

공급사100 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
成都丽凯手性技术有限公司028-85247892 · [email protected]

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