DL-타타르산
2,3-Dihydroxybutanedioic Acid
기본 정보
- CAS
133-37-9- 표준 SMILES
O=C(O)C(O)C(O)C(=O)O- InChIKey
FEWJPZIEWOKRBE-UHFFFAOYSA-N- 분자식
- C4H6O6
- 평균 분자량
- 150.09 g/mol
- 단동위원소 질량
- 150.01643791
개요
2,3-dihydroxybutanedioic acid is a tetraric acid that is butanedioic acid substituted by hydroxy groups at positions 2 and 3. It has a role as a plant metabolite and a human xenobiotic metabolite. It is a conjugate acid of a 3-carboxy-2,3-dihydroxypropanoate.
이름 및 식별자
- 우선 이름
- 2,3-Dihydroxybutanedioic Acid
- IUPAC
- 2,3-dihydroxybutanedioic acid
- 현지명
- DL-타타르산
- 영어명
- DL-Tartaric acid
- 분자식
- C4H6O6
- 분자량
- 150.09
이름 및 동의어
2,3-Dihydroxybutanedioic acid526-83-0GlyTouCan:G35198MQDTXCID3026986CHEBI:15674DTXSID501031477RefChem:935304G35198MQ610-885-0DL-Tartaric acid133-37-9Racemic acid
이름 더 보기
DL-타타르산DL-타르타릭산2,3-디하이드록시-부탄디오익산DL-디하이드록시숙신산TARTARIC ACIDdl-Tartaric acid anhydrousDL-TartaricClopidogrel Impurity 45DL-Tartaric acid concentrateButanedioic acid, 2,3-dihydroxy-, (2R,3R)-rel-DL-Tartaric acid 133-37-9 pure 99% food additives Paratartaric acid kf-wang(at)kf-chem.com
Uvic acidTraubensaureRacemic tartaric acidParatartaric acidParatartaric aicdDL-TartrateBUTANEDIOIC ACID, 2,3-DIHYDROXY-MFCD00064206
데이터베이스 식별자
- 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
물성
구조 계산 물성
- XLogP
- -1.9
- 극성 표면적
- 115 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 10
- 형식 전하
- 0
- 복잡도
- 134
실험 및 물리화학적 성질
Chemical ClassesOther Classes -> Organic Acids
DrugsPharmaceuticals
FragrancesFragrance Ingredient (Tartaric acid (d-, l-, dl-, meso-)) -> IFRA transparency List
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
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]
물리화학적 성질
- 녹는점
- 210 · 210-212 °C(lit.)
- 끓는 점
- 191.59 °C · 191.59°C (rough estimate)
- 밀도
- 1.788 · 1.788
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
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]
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.
Warning
유해성 정보
Regulatory Information
Chemical: Butanedioic acid, 2,3-dihydroxy-, (R*,R*)-(.+-.)-
REACH registered substance: (±)-tartaric acid (EC: 205-105-7)
Other Safety InformationIMAP assessments - Butanedioic acid, 2,3-dihydroxy-, (R*,R*)-(.+-.)-: Human health tier I assessment
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%)
Skin Irrit. 2 (100%)
독성 정보
Adverse EffectsDermatotoxin - Skin burns.
Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).
안전 데이터
화학 및 산업
용도 및 제조
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:
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
응용 분야
출처d-Tartaric acid occurs in many fruits or other parts of the plant, free or combined with potassium, calcium or magnesium. It is also reported found in raw, lean fish, white wine, red wine and port wine.
용도DL-Tartaric acid is used as a synergist for antioxidants, emulsifier, sequestrant and flavoring agent. It is also added with citric acid to prepare effervescent salts, thereby enhancing the taste of oral medications. It is also utilized in pigments, processing aids, ink, toner and colorant products. It acts as a chelating agent in metal and farming industries. Further, it is used as lubricant and grease. It is mixed with sodium bicarbonate and used as a leavening agent in food preparation. In the pharmaceutical industry, it is utilized in the preparation of tartar emetic, which is used in cough syrup as an expectorant.
제조 방법
The tartrates used in commerce are obtained as a by-product of wine manufacture and have the L(+) configuration. Produced from argols or wine lees, which are formed in the manufacture of wine by extracting the potassium acid tartrate, transforming this into the calcium salt and then acidifying with dilute sulfuric acid; also by oxidation of d-glucose with nitric acid. The dl-tartaric acid is obtained by boiling the d-tartaric acid with an aqueous solution of NaOH or by oxidation of fumaric acid. The l- and the meso-tartaric acid are also known, but are less important.
관련 반응
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