D-Tartaric acid

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基本情報

CAS: 133-37-9
標準SMILES: O=C(O)[C@@H](O)[C@H](O)C(=O)O
InChIKey: FEWJPZIEWOKRBE-LWMBPPNESA-N
分子式: C4H6O6
平均分子量: 150.09 g/mol

概要

D-tartaric acid is the D-enantiomer of tartaric acid. It has a role as an Escherichia coli metabolite. It is a conjugate acid of a D-tartrate(1-). It is an enantiomer of a L-tartaric acid.

名称と識別子

優先名称: D-Tartaric acid
IUPAC: (2S,3S)-2,3-dihydroxybutanedioic acid
英語名: L-Tartaric acid
分子式: C4H6O6
分子量: 150.08684

名称と別名

d-Tartaric acidD-(-)-Tartaric acid147-71-7(2S,3S)-2,3-dihydroxybutanedioic acid(-)-Tartaric acidD-threaric acid(-)-D-Tartaric acid(S,S)-Tartaric acid(2S,3S)-(-)-Tartaric acid(2S,3S)-Tartaric acid(-)-(S,S)-Tartaric acid(S,S)-(-)-Tartaric acid

名称をさらに表示

unusual tartaric acidRRX6A4PL3CTARTARIC ACID, D-UNNATURAL TARTARIC ACIDDTXSID4043775CHEBI:15672RefChem:130683GlyTouCan:G95238FE

データベース識別子

CAS: 133-37-9、147-71-7
PubChem CID: 439655
DTXSID: DTXSID4043775
ChEMBL: CHEMBL1200861
ChEBI: CHEBI:15672
UNII: RRX6A4PL3C
EC Number: 205-105-7、205-695-6
Nikkaji: J9.264I

物性

構造計算による物性補完中

XLogP: -1.9
極性表面積: 115 Å²
水素結合供与体数: 4
水素結合受容体数: 6
回転可能結合数: 3
重原子数: 10
形式電荷: 0
複雑度: 134

実験および物理化学的性質

Chemical Classes · 2 件

Other Classes -> Organic Acids

SpringerMaterials PropertiesCrystal structure

FragrancesFragrance Ingredient (Tartaric acid (d-, l-, dl-, meso-)) -> IFRA transparency List

Solubility1.00E+06 mg/L @ 25 °C (exp)

Melting Point169 - 170 °C

Physical Description · 4 件

Liquid; Other Solid

White solid; [ICSC] Colorless or white odorless solid; [JECFA] White odorless crystalline powder; [Acros Organics MSDS]

Solid; [Merck Index] White odorless crystalline powder; [Alfa Aesar MSDS]

Solid

物理化学的性質

融点: 172.5 °C · 172.5 °C

安全と法規制

安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 5.1% (26 of 506) of reports.

Danger

H315 (22.1%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 506 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

This chemical does not meet GHS hazard criteria for 1% (3 of 310) of reports.

危険有害性情報

Regulatory Information · 6 件

Chemical: Butanedioic acid, 2,3-dihydroxy-, (R*,R*)-(.+-.)-

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

Butanedioic acid, 2,3-dihydroxy-, (2S,3S)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Butanedioic acid, 2,3-dihydroxy-, (2S,3S)- 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)

Status: Active Update: 23-07-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/17277

Status: Active Update: 03-10-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/34095

D-Tartaric acid: Does not have an individual approval but may be used under an appropriate group standard

Other Safety Information · 2 件

IMAP assessments - Butanedioic acid, 2,3-dihydroxy-, (R*,R*)-(.+-.)-: Human health tier I assessment

Evaluation - Chemicals that are unlikely to require further regulation to manage risks to environment

Hazards Summary · 2 件

Causes burns; Inhalation of aerosol may cause pulmonary edema; [ICSC] An irritant; [Acros Organics MSDS]

A skin, respiratory tract, and strong eye irritant; [Alfa Aesar MSDS]

化学と産業

薬理情報

Cellular LocationsCytoplasm

用途と製造

Uses · 2 件

Used as a synergist for antioxidants, acid, emulsifier, sequestrant, and flavoring agent; [JECFA]

Dextro configuration of levorotatory tartaric acid; Called unnatural but has been found in nature; [Merck Index]

U.S. Production2023: 477,000 lb

Consumer UsesNot Known or Reasonably Ascertainable

Use Classification · 2 件

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENTFood Additives -> ACID; ANTIOXIDANT_SYNERGIST; EMULSIFIER; SEQUESTRANT; SYNERGIST -> JECFA Functional Classes

General Manufacturing InformationButanedioic acid, 2,3-dihydroxy-, (2S,3S)-: ACTIVE

化合物ノート

読み込み中…

部分構造検索類似構造を探す

基本情報

CAS: 133-37-9
標準SMILES: O=C(O)[C@@H](O)[C@H](O)C(=O)O
InChIKey: FEWJPZIEWOKRBE-LWMBPPNESA-N
分子式: C4H6O6
平均分子量: 150.09 g/mol

概要

D-tartaric acid is the D-enantiomer of tartaric acid. It has a role as an Escherichia coli metabolite. It is a conjugate acid of a D-tartrate(1-). It is an enantiomer of a L-tartaric acid.