Diethyl tartrate

HCID 6993580CAS 87-91-2

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CCOC(=O)[C@H](O)[C@@H](O)C(=O)OCC
InChIKey: YSAVZVORKRDODB-PHDIDXHHSA-N
분자식: C8H14O6
평균 분자량: 206.19 g/mol
단동위원소 질량: 206.07903817

개요

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

이름 및 식별자

우선 이름: Diethyl tartrate
IUPAC: diethyl (2R,3R)-2,3-dihydroxybutanedioate

이름 및 동의어

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

이름 더 보기

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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: -0.3
극성 표면적: 93.1 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 6
회전 가능 결합 수: 7
무거운 원자 수: 14
형식 전하: 0
복잡도: 180

실험 및 물리화학적 성질

FragrancesFragrance Ingredient (Diethyl tartrate) -> IFRA transparency List

LogP-0.29

Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food

Density · 2건

1.203-1.210 (20 °C)

1.24 @25 °C

Flavoring AgentsEU Flavoring substances

Solubility · 2건

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

(in ethanol)

안전 및 규제

GHS 분류

GHS Classification · 3건

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.

유해성 정보

Regulatory Information · 3건

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

안전 및 보호

Protective Action Criteria (PAC) · 3건

30 [mg/m3]

330 [mg/m3]

2000 [mg/m3]

화학 및 산업

용도 및 제조

Use Classification · 5건

Fragrance Ingredients

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

Flavoring Agents -> JECFA Flavorings Index