기본 정보
- CAS
636-61-3- 표준 SMILES
O=C(O)C[C@@H](O)C(=O)O- InChIKey
BJEPYKJPYRNKOW-UWTATZPHSA-N- 분자식
- C4H6O5
- 평균 분자량
- 134.09 g/mol
- 단동위원소 질량
- 134.02152329
이름 및 식별자
- 우선 이름
- D-Malic acid
- IUPAC
- (2R)-2-hydroxybutanedioic acid
- 영어명
- D(+)-Malic acid
- 분자식
- C4H6O5
- 분자량
- 134.09
이름 및 동의어
D-(+)-malic acidD-malic acid(R)-malic acidMalic acid, D-Malic acid D-(+)-form(+)-D-malic acidL(+)-Malic acidButanedioic acid, hydroxy-, (2R)-(R)-2-hydroxybutanedioic acid(r)-(+)-hydroxysuccinic acidMalic acid, L(+)-EINECS 211-262-2
이름 더 보기
(2R)-2-Hydroxybutanedioic acid(R)-HYDROXYSUCCINIC ACIDD-(+)-MaLD(+)-MalicD-APPLE ACID(R)-malicacil(+)-malicaci
CHEBI:30796P750Y95K96MALIC ACID D-(+)-FORM [MI]BUTANEDIOIC ACID, 2-HYDROXY-, (2R)-2-HYDROXY-SUCCINIC ACIDDMalic acidMalic acid, DMalic acid D(+)form
데이터베이스 식별자
- CAS
636-61-3- PubChem CID
- 92824
- DTXSID
DTXSID90892496- ChEMBL
CHEMBL225986- ChEBI
CHEBI:30796- UNII
- P750Y95K96
- EC Number
- 211-262-2
- Nikkaji
- J14.674I
물성
구조 계산 물성
- XLogP
- -1.3
- 극성 표면적
- 94.8 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 9
- 형식 전하
- 0
- 복잡도
- 129
실험 및 물리화학적 성질
LogP-1.26
Solubility364 mg/mL at 20 °C
Melting Point101 °C
Physical Description
Solid; [Merck Index] White powder; [Alfa Aesar MSDS]
Solid
Collision Cross Section
120.68 Ų [M-H]- [CCS Type: DT; Method: stepped-field]
116.3 Ų [M-H]-
물리화학적 성질
- 녹는점
- 98 · 98-102 °C (lit.)
- 끓는 점
- 167.16 °C · 167.16°C (rough estimate)
- 밀도
- 1.6 · 1.60
- 굴절률
- 6.5 ° · 6.5 ° (C=10, Acetone)
- 저장 조건
- 30 °C · Store below +30°C.
- 용해도
- 메탄올, 에탄올, 아세톤, 에테르에 용해됩니다.
- 물리적 상태
- 결정성 분말
- 산도 계수 (pKa)
- 3.61 · 3.61±0.23(Predicted)
- 색상
- 하얀색
- 수소이온지수(pH)
- 2.2 · 2.2 (10g/l, H2O, 20℃)
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 3.1% (3 of 98) of reports.
Danger
H315 (93.9%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (91.8%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (92.9%): 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+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 98 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 3 of 98 reports by companies.；There are 12 notifications provided by 95 of 98 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.
유해성 정보
Regulatory Information
Status: Active Update: 14-02-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/30537
D-(+)-Malic acid: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryAn irritant that may cause serious eye injury; [Alfa Aesar MSDS] See Malic acid.
Hazard Classes and CategoriesSkin Irrit. 2 (93.9%)；Eye Dam. 1 (91.8%)；STOT SE 3 (92.9%)
규제 정보
화학 및 산업
약리 정보
Cellular LocationsCytoplasm；Extracellular
용도 및 제조
UsesUsed as an intermediate, chelating agent, buffering agent, and food additive; [Merck Index]
응용 분야
용도The naturally occuring isomer is the L-form which has been found in apples and many other fruits and plants. Selective α-amino protecting reagent for amino acid derivatives. Versatile synthon for the preparation of chiral compounds including κ-opioid rece
상·하류 제품 정보
상류 원료
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