Diethyl tartrate

HCID 6993580
ノート反応

データを補完しています。通常は 1 分以内に完了します

部分構造検索類似構造を探す

基本情報

CAS
87-91-2
標準SMILES
CCOC(=O)[C@H](O)[C@@H](O)C(=O)OCC
InChIKey
YSAVZVORKRDODB-PHDIDXHHSA-N
分子式
C8H14O6
平均分子量
206.19 g/mol
単同位体質量
206.07903817

概要

diethyl tartrate is a metabolite found in or produced by Saccharomyces cerevisiae.

名称と識別子

優先名称
Diethyl tartrate
IUPAC
diethyl (2R,3R)-2,3-dihydroxybutanedioate

名称と別名

87-91-2Diethyl L-tartrateEthyl tartrateFEMA No. 2378DTXSID5052597Diethyl (+)-tartrateOQ72CPY58ZDiethyl 1,2-dihydroxy-1,2-ethanedicarboxylateTartaric acid, diethyl esterDTXCID6031170NSC-44808BUTANEDIOIC ACID, 2,3-DIHYDROXY-(R-(R*,R*))-, DIETHYL ESTER
名称をさらに表示
RefChem:133449Tartaric acid diethyl esterBUTANEDIOIC ACID, 2,3-DIHYDROXY-(2R,3R)-, DIETHYL ESTERBUTANEDIOIC ACID, 2,3-DIHYDROXY-(2R,3R)-, 1,4-DIETHYL ESTER201-783-3Diethyl 2,3-dihydroxysuccinateDiethyl tartrate(2R,3R)-Diethyl 2,3-dihydroxysuccinate

データベース識別子

CAS
87-91-2
PubChem CID
6993580
DTXSID
DTXSID5052597
UNII
OQ72CPY58Z
EC Number
201-783-3
Nikkaji
J9.319J

物性

構造計算による物性補完中

XLogP
-0.3
極性表面積
93.1 Ų
水素結合供与体数
2
水素結合受容体数
6
回転可能結合数
7
重原子数
14

実験および物理化学的性質

FragrancesFragrance Ingredient (Diethyl tartrate) -> IFRA transparency List
LogP-0.29
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density · 2 件

1.203-1.210 (20 °C)

1.24 @25 °C

Flavoring AgentsEU Flavoring substances
Solubility · 2 件

slightly soluble to insoluble in water; miscible in oil and alcohol

(in ethanol)

安全と法規制

GHS分類

GHS Classification · 3 件

This chemical does not meet GHS hazard criteria for 99.8% (1418 of 1421) of all reports.

Not Classified

Aggregated GHS information provided per 1421 reports by companies from 2 notifications to the ECHA C&L Inventory.

危険有害性情報

Regulatory Information · 3 件

Chemical: Butanedioic acid, 2,3-dihydroxy- [R-(R*,R*)]-, diethyl ester

Status: Active Update: 10-11-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/18416

Butanedioic acid, 2,3-dihydroxy- (2R,3R)-, diethyl ester: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesNot Classified

安全と保護具

Protective Action Criteria (PAC) · 3 件

30 [mg/m3]

330 [mg/m3]

2000 [mg/m3]

化学と産業

用途と製造

Use Classification · 5 件

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENTFood Additives -> CARRIER_SOLVENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENTFood Additives -> CARRIER_SOLVENT -> JECFA Functional Classes

Flavouring Agent -> FLAVOURING_AGENTFood Additives -> CARRIER_SOLVENT -> JECFA Functional Classes

General Manufacturing InformationButanedioic acid, 2,3-dihydroxy- (2R,3R)-, 1,4-diethyl ester: ACTIVE

サプライヤー100 社

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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