3D Mol Similar

Zinc lactate

Iupac Name：zinc;2-hydroxypropanoate

CAS No.: 16039-53-5

Molecular Weight：243.53

Modify Date.: 2022-12-14 06:02

Introduction: Hypnotic View more+

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1. Names and Identifiers

1.1 Name: Zinc lactate
1.2 Synonyms: 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, zinc salt (2:3) DL-Lactic acid hemizinc salt dl-lacticacidhemi-zinc EINECS 240-178-9 MFCD00054367 Zinc 2-hydroxy-1,2,3-propanetricarboxylate (3:2) Zinc 2-hydroxypropane-1,2,3-tricarboxylate (3:2) Zinc dihydroxide zinc dilactate ZINC HYDROXIDE ZINC LACTATE DIHYDRATE Zinc, bis2-(hydroxy-.kappa.O)propanoato-.kappa.O-, (T-4)- Zinclactate-2-hydrate

1.3 CAS No.: 16039-53-5

1.4 CID: 3007856

1.5 EINECS(EC#): 240-178-9

1.6 Molecular Formula: C6H10O6Zn (isomer)

1.7 Inchi: InChI=1/2C6H8O7.3Zn/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;/q;;3*+2/p-6

1.8 InChkey: WGIWBXUNRXCYRA-UHFFFAOYNA-H

1.9 Canonical Smiles: OC1(CC(=O)O[Zn]OC(=O)CC2(O)CC(=O)O[Zn]OC2=O)CC(=O)O[Zn]OC1=O

1.10 Isomers Smiles: CC(C(=O)[O-])O.CC(C(=O)[O-])O.[Zn+2]

2. Properties

2.1 Density: 1.65[at 20℃]

2.1 Melting point: >256°C (subl.)

2.1 Boiling point: 227.6°Cat760mmHg

2.1 Flash Point: 109.9°C

2.1 Precise Quality: 569.794495

2.1 PSA: 198.26000

2.1 logP: -2.96710

2.1 Appearance: White crystals

2.2 Storage: 2-8°C

2.3 Chemical Properties: White crystals. Soluble in water. Combustible.

2.4 pKa: 8.51[at 20 ℃]

2.5 StorageTemp: 2-8°C

3. Use and Manufacturing

3.1 Purification Methods: It crystallises from water (6mL/g). [Beilstein 3 I 107, 3 II 204, 3 III 464, 3 IV 637.] Zinc lactate Preparation Products And Raw materials Raw materials

3.2 Usage: Hypnotic

4. Safety and Handling

4.1 Hazard Codes: Xi,N

4.1 Risk Statements: 36/37/38-50/53

4.1 Safety Statements: 26-36-61

4.1 RIDADR: 25kgs

4.1 WGK Germany: 3

4.1 Safety: Hazard Codes:?Xi??
Risk Statements: 36/37/38
?R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.?
S36: Wear suitable protective clothing.
WGK Germany: 3

4.2 Specification: ? Zinc lactate , with CAS number of 16039-53-5, can be called Zinc lactate dehydrate ; DL-Lacticacidhemi-zinc ; Zinc dilactate ; Zinclactate-2-hydrate ; Zinc, bis2-(hydroxy-.kappa.o)propanoato-.kappa.o-, (t-4)- ; Zinc lactate ; Zinc lactate 3-hydrate, pwdr,21-22% Zn, chem. Pure ; DL-Lactic acid hemizinc salt .?It can be used in organic synthesis.

5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Serious eye damage, Category 1

Hazardous to the aquatic environment, short-term (Acute) - Category Acute 1

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word	Warning
Hazard statement(s)	H302 Harmful if swallowed H318 Causes serious eye damage H410 Very toxic to aquatic life with long lasting effects
Precautionary statement(s)
Prevention	P264 Wash ... thoroughly after handling. P270 Do not eat, drink or smoke when using this product. P280 Wear protective gloves/protective clothing/eye protection/face protection. P273 Avoid release to the environment.
Response	P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell. P330 Rinse mouth. P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. P310 Immediately call a POISON CENTER/doctor/\u2026 P391 Collect spillage.
Storage	none
Disposal	P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

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6. Other Information

6.0 Chemical Properties: White crystals. Soluble in water. Combustible.

6.1 Uses: Hypnotic

6.2 Purification Methods: It crystallises from water (6mL/g). [Beilstein 3 I 107, 3 II 204, 3 III 464, 3 IV 637.]

6.3 Flammability and Explosibility: Nonflammable

7. Computational chemical data

Molecular Weight: 243.53g/mol
Molecular Formula: C₆H₁₀O₆Zn
Compound Is Canonicalized: True
XLogP3-AA: null
Exact Mass: 241.976880
Monoisotopic Mass: 241.976880
Complexity: 53.5
Rotatable Bond Count: 0
Hydrogen Bond Donor Count: 2
Hydrogen Bond Acceptor Count: 6
Topological Polar Surface Area: 121
Heavy Atom Count: 13
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 2
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Isotope Atom Count: 0
Covalently-Bonded Unit Count: 3
CACTVS Substructure Key Fingerprint: AAADccBgOAAAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAACBSggAICCAAAAgAIAACQCAIAAAAAAAAAAAFAAAABEAAAAAAAAAAAAAABAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

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98% Zinc lactate EINECS 240-178-9