基本情報
- 標準SMILES
O=C(O)C(O)C(O)C(=O)O- InChIKey
FEWJPZIEWOKRBE-UHFFFAOYSA-N- 分子式
- C4H6O6
- 平均分子量
- 150.09 g/mol
- 単同位体質量
- 150.01643791
名称と識別子
- 優先名称
- 2,3-Dihydroxybutanedioic Acid
- IUPAC
- 2,3-dihydroxybutanedioic acid
名称と別名
2,3-Dihydroxybutanedioic acid526-83-0DTXCID3026986CHEBI:15674DTXSID501031477RefChem:935304GlyTouCan:G35198MQG35198MQ610-885-0DL-Tartaric acid133-37-9Racemic acid
名称をさらに表示
Uvic acidTraubensaureRacemic tartaric acidDL-TartrateParatartaric acidParatartaric aicdD(-)-TARTARIC ACIDBUTANEDIOIC ACID, 2,3-DIHYDROXY-
データベース識別子
- CAS
133-37-9、526-83-0、87-69-4- PubChem CID
- 875
- DTXSID
DTXSID501031477- ChEMBL
CHEMBL333714- ChEBI
CHEBI:15674- EC Number
- 205-105-7、610-885-0
- Nikkaji
- J56.048K
物性
構造計算による物性
- XLogP
- -1.9
- 極性表面積
- 115 Ų
- 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
Solubility
soluble in water and alcohol; 1 gm in 0.8 ml water
1 g in 3 ml 95% alcohol (in ethanol)
Physical Description
White solid; [ICSC] Colorless or white odorless solid; [JECFA] White odorless crystalline powder; [Acros Organics MSDS]
colourless or translucent crystals, or a white, fine to granular crystaline powder which is odourless with an acid taste
Kovats Retention Index1262
Collision Cross Section
115.46 Ų [M-H]- [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]
124.4 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
安全と法規制
GHS分類
GHS Classification
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]；H318 (53.6%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (41.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (15.4%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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.；Reported as not meeting GHS hazard criteria per 26 of 506 reports by companies.；There are 12 notifications provided by 480 of 506 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.
危険有害性情報
Regulatory Information
Chemical: Butanedioic acid, 2,3-dihydroxy-, (R*,R*)-(.+-.)-
Status: Active Update: 03-10-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/34095
Other Safety InformationIMAP 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 SummaryCauses burns; Inhalation of aerosol may cause pulmonary edema; [ICSC] An irritant; [Acros Organics MSDS]
Hazard Classes and Categories
Skin Irrit. 2 (22.1%)；Eye Dam. 1 (53.6%)；Eye Irrit. 2 (41.3%)；STOT SE 3 (15.4%)
Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
毒性情報
Adverse EffectsDermatotoxin - Skin burns.；Toxic Pneumonitis - Inflammation of the lungs induced by inhalation of metal fumes or toxic gases and vapors.
Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).
法規制情報
Regulatory Information
Chemical: Butanedioic acid, 2,3-dihydroxy-, (R*,R*)-(.+-.)-
Status: Active Update: 03-10-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/34095
化学と産業
用途と製造
UsesUsed as a synergist for antioxidants, acid, emulsifier, sequestrant, and flavoring agent; [JECFA]
Household ProductsInformation on 7 consumer products that contain Tartaric acid in the following categories is provided:；• Inside the Home；• Personal Care
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENTFood Additives -> ACID; ANTIOXIDANT_SYNERGIST; EMULSIFIER; SEQUESTRANT; SYNERGIST -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
関連反応
439 件
関連ノート
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