화학 백과사전 / Herbal Extract / Food Additives / Pharmaceutical Intermediates

L-(-)-말산

CAS：97-67-6
MW:134.09
MF：C4H6O5

Active ingredient in many sour or tart foods.

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이름 및 식별자
성질
안전 문장
MSDS 정보
NMR 스펙트럼
추가 정보
화학 데이터 계산
관련 문제
실제 제품 정보

1. 이름 및 식별자

1.1 제품명: L-(-)-말산

1.2 동의어: (S)-(-)-하이드 록시이 소시 틱산; (S)-하이드 록시이 소시 닉산; (S)-하이드 록시 부티 디온 산; (S)-(-)-말산; S 2- 하이드 록시 실리콘 산; 천연 사과산;

1.3 CAS No.: 97-67-6

1.4 CID: 222656

1.5 EINECS 번호: 202-601-5

1.6 분자식: C4H6O5

1.7 Inchi: InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/t2-/m0/s1

1.8 InchiKey: BJEPYKJPYRNKOW-REOHCLBHSA-N

1.9 교회법에 의거 한 SMILES: C(C(C(=O)O)O)C(=O)O

1.10 이성질체 SMILES: C([C@@H](C(=O)O)O)C(=O)O

2. 성질

2.1 끓는점: 167.16 ° C (대략적인 예상치)

2.2 가용성: H2O: 0.5?M at?20?°C, clear, colorless

2.3 스토리지: RT에 저장하십시오.

2.4 PH: 2.2 (10g / l, H2O, 20 ℃)

2.5 pKa: (1) 3.46, (2) 5.10(at 25℃)

2.6 물 용해도: 녹는

3. 안전 문장

3.1 위험 코드: Xi

3.2 R 구문: 36/37/38

3.3 S 구문: 26-36-37/39

3.4 WGK 독일: 3

3.5 RTECS: ON7175000

3.6 안전과 위험

위험 코드	Xi
R 구문	36/37/38
S 구문	26-36-37/39
WGK 독일	3
RTECS	ON7175000
TSCA	가능
HS 코드	29181980

View all

4. MSDS 정보

2.Hazard identification

2.1 Classification of the substance or mixture

Eye irritation, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word	Warning
Hazard statement(s)	H319 Causes serious eye irritation
Precautionary statement(s)
Prevention	P264 Wash ... thoroughly after handling. P280 Wear protective gloves/protective clothing/eye protection/face protection.
Response	P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. P337+P313 If eye irritation persists: Get medical advice/attention.
Storage	none
Disposal	none

2.3 Other hazards which do not result in classification

none

모두 보기

5. NMR 스펙트럼

13C NMR : in D2O

13C NMR : in DMSO-d6

13C NMR : Predict

1H NMR : 400 MHz in DMSO-d6

1H NMR : 90 MHz in D2O

1H NMR : Predict

IR : KBr disc

IR : nujol mull

Raman : 4880 A,200 M,powder

Mass

Mass spectrum (electron ionization)

6. 합성 선형

97-67-6Total: 65 합성 선형

68-04-2 308 공급자

97-67-6 339 공급자

64-17-5 396 공급자

97-67-6 339 공급자

모두 보기

7. 전구체 및 제품

업스트림 제품:

64-17-5

68-04-2

56-84-8

110-17-8

50-99-7

70-47-3

57-50-1

584-98-5

다운스트림 제품:

3972-40-5

52079-23-9

5469-16-9

691-84-9

87-69-4

77-92-9

923-06-8

328-42-7

617-55-0

59025-03-5

8. 화학 데이터 계산

Molecular Weight：134.09g/mol
Molecular Formula：C₄H₆O₅
Compound Is Canonicalized：True
XLogP3-AA：134.02152329
Monoisotopic Mass：134.02152329
Complexity：129
Rotatable Bond Count：3
Hydrogen Bond Donor Count：3
Hydrogen Bond Acceptor Count：5
Topological Polar Surface Area：94.8
Heavy Atom Count：：9
Defined Atom Stereocenter Count：1
Undefined Atom Stereocenter Count：0
Defined Bond Stereocenter Count：0
Undefined Bond Stereocenter Count：0
Isotope Atom Count：0
Covalently-Bonded Unit Count：1
CACTVS Substructure Key Fingerprint：AAADcYBgOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAACBSggAIACAAAAgAIAACQCAIAAAAAAAAAAAFAAAABEBQAAAAAQAAFIAABAABDAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

9.추가 정보

질러: 1723541

NIST 화학 참조: 부탄 디온 산, 하이드 록시-, (s)-(97-67-6)

10. Toltal 302 공급자 자세히 보기

Hangzhou Dingyan Chem Co.,Ltd

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Tel: Update Time:2024/11/15

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Hebei Danyue Import and Export Co., Ltd

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Tel: Update Time:2024/11/15

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Facoty high quality L-(-)-Malic Acid Cas 97-67-6 with best price

Wuhan Fortuna Chemical Co., Ltd.

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Tel: Update Time:2024/08/08

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Baoji Guokang Healthchem co.,ltd

^1YR

Tel: Update Time:2024/11/15

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CANGZHOU ENKE PHARMA-TECH CO.,LTD

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Tel: Update Time:2024/11/12

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11. 관련 문제

: What Are the Characteristics and Applications of L-Malic Acid?Introduction L-Malic acid, a dicarboxylic acid with the chemical formula C4H6O5, is essential in various industries due to its versatile properties and wide-ranging applications. Found naturally in fr..; What are the applications and benefits of L-(-)-Malic Acid?L-(-)-Malic Acid is widely used as a functional acidulant in the beverage and food industry. Its tartness is long-lasting and 20% stronger than citric acid. It not only preserves the flavor of natural..; What are the benefits of L-malic acid and its applications? L-malic acid, a natural organic acid with a taste similar to that of natural apple, is widely found in plant, animal, and microbial cells. It has been recognized as a safe and edible organic acid by ..; What is the new extraction process of L-(-)-Malic Acid?Background technologyMalic acid, also known as 2-hydroxysuccinic acid, has an asymmetric carbon atom in the molecule, including L-malic acid, D-malic acid and D L-(- )-Malic Acid 3 isomers. Naturally ..

12. 실제 제품 정보