3D Mol Similar

Oxalic acid dihydrate

: Iupac Name：oxalic acid;dihydrate; CAS No.: 6153-56-6; Molecular Weight：126.064; Modify Date.: 2023-01-10 15:18; Introduction: Oxalic acid dihydrate is a purifying agent in pharmaceutical industry, special in antibiotic medication, such as Oxytetracycline , Chloramphenicol , etc; * Precipitating agent in Rare-earth mineral processing; * Bleaching agent in the textile activities, wood pulp bleaching; * Rust-remover for Metal treatment; * Grinding agent, such as Marble polishing; * Waste water treatment, removing calcium from water. View more+

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1. Names and Identifiers

: 1.1 Name; Oxalic acid dihydrate; 1.2 Synonyms; Cough. Sore throat. Burning sensation. Shortness of breath. Laboured breathing. Headache. EINECS 205-634-3 Has two acid MFCD00149102 Oxalate Acid OXALIC ACID 2HYD XTL Oxalic acid dihydrate Manufacturer Oxalic acid test solution(ChP) OXALIC ACID, DIHYDRATE, HIGH PURITYOXALIC ACID, DIHYDRATE, HIGH PURITYOXALIC ACID, DIHYDRATE, HIGH PURITYOXALIC ACID, DIHYDRATE, HIGH PURITY oxalic acid,dihydrate Redness. Pain. Blurred vision. Burns. Redness. Pain. Skin burns. Two water oxalic acid; View all

1.3 CAS No.: 6153-56-6

1.4 CID: 61373

1.5 EINECS(EC#): 205-634-3

1.6 Molecular Formula: C2H6O6 (isomer)

1.7 Inchi: InChI=1S/C2H2O4.2H2O/c3-1(4)2(5)6;;/h(H,3,4)(H,5,6);2*1H2

1.8 InChIkey: GEVPUGOOGXGPIO-UHFFFAOYSA-N

1.9 Canonical Smiles: C(=O)(C(=O)O)O.O.O

1.10 Isomers Smiles: C(=O)(C(=O)O)O.O.O

2. Properties

2.1 Density: 1.65

2.1 Melting point: 98-102℃ (dec)

2.1 Boiling point: 101-102 °C

2.1 Refractive index: 1.45560

2.1 Flash Point: 188.8 °C

2.2 Precise Quality: 126.01600

2.2 PSA: 93.06000

2.2 logP: -0.97300

2.2 Solubility: 138 g/L (20 °C) in water

2.3 VaporDensity: 4.4 (vs air)

2.4 Appearance: COLOURLESS CRYSTALS.

2.5 Storage: Ambient temperatures.

2.6 Chemical Properties: white crystals

2.7 Color/Form: Yellow to yellow-green

2.8 PH: ~1.0 (25℃, 1M in H2O)

2.9 Physical: CBI

2.10 Water Solubility: H2O: 138 g/L (20 oC)

2.11 Stability: Stable. Incompatible with bases, acid chlorides, steel, silver, silver compounds, moisture. Avoid contact with metals.

2.12 StorageTemp: Store at +5°C to +30°C.

3. Use and Manufacturing

3.1 GHS Classification: Signal: Danger
GHS Hazard Statements
Aggregated GHS information provided by 341 companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Reported as not meeting GHS hazard criteria by 5 of 341 companies. For more detailed information, please visit ECHA C&L website

Of the 9 notification(s) provided by 336 of 341 companies with hazard statement code(s):

H302 (99.7%): Harmful if swallowed [Warning Acute toxicity, oral]
H312 (99.7%): Harmful in contact with skin [Warning Acute toxicity, dermal]
H315 (20.24%): Causes skin irritation [Warning Skin corrosion/irritation]
H318 (33.93%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
H373 (20.24%): Causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]

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.

Precautionary Statement Codes
P260, P264, P270, P280, P301+P312, P302+P352, P305+P351+P338, P310, P312, P314, P321, P322, P330, P332+P313, P362, P363, and P501; View all

3.2 Purification Methods: Crystallise oxalic acid from distilled water. Dry it in a vacuum over H2SO4. The anhydrous acid can be obtained by drying at 100o overnight. [Beilstein 2 IV 1819.] Oxalic acid dihydrate Preparation Products And Raw materials Raw materials

3.3 Usage: Oxalic acid dihydrate is a purifying agent in pharmaceutical industry, special in antibiotic medication, such as Oxytetracycline , Chloramphenicol , etc; * Precipitating agent in Rare-earth mineral processing; * Bleaching agent in the textile activities, wood pulp bleaching; * Rust-remover for Metal treatment; * Grinding agent, such as Marble polishing; * Waste water treatment, removing calcium from water.

4. Safety and Handling

4.1 Symbol: GHS05, GHS07

4.1 Hazard Codes: C,Xn

4.1 Signal Word: Danger

4.1 Risk Statements: R21/22

4.1 Safety Statements: S24/25

4.1 Packing Group: III

4.1 Hazard Class: 8

4.1 Hazard Declaration: H302 + H312-H318

4.1 RIDADR: UN 1759

4.1 Caution Statement: P280-P305 + P351 + P338

4.1 WGK Germany: 1

4.1 RTECS: RO2450000

4.1 Safety: Safty information about Ethanedioic acid, dihydrate (CAS NO.6153-56-6) is:
Hazard Codes:?Xn,?C
Risk Statements: 21/22?
R21/22:Harmful in contact with skin and if swallowed.
Safety Statements: 24/25?
S24/25:Avoid contact with skin and eyes.
RIDADR: UN 3261 8/PG 3
WGK Germany: 1
RTECS: RO2450000
HazardClass: 8
PackingGroup: III
HS Code: 29171100

4.2 Specification: ?Ethanedioic acid, dihydrate , its cas register number is 6153-56-6. It also can be called?Dicarbolic acid dihydrate ; Ethanedioic acid dihydrate .It is a?white crystals.

4.3 Toxicity: LD50 orally in Rabbit: 375 mg/kg

5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Acute toxicity - Dermal, Category 4

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word	Warning
Hazard statement(s)	H302 Harmful if swallowed H312 Harmful in contact with skin
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.
Response	P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell. P330 Rinse mouth. P302+P352 IF ON SKIN: Wash with plenty of water/... P312 Call a POISON CENTER/doctor/\u2026if you feel unwell. P321 Specific treatment (see ... on this label). P362+P364 Take off contaminated clothing and wash it before reuse.
Storage	none
Disposal	P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

View all

6. NMR Spectrum

ESR : TI(III) COMPLEX IN BENZENE/TOLUENE(1:4), X-BAND

ESR : TI(III) COMPLEX IN C6H6/(CH3)C6H5, HALF FIELD

ESR : TI(III) COMPLEX IN C6H6/(CH3)C6H5, Q-BAND

13C NMR : in D2O

IR : KBr disc

IR : nujol mull

Raman : 4880 A,200 M,powder

Mass

7. Synthesis Route

6153-56-6Total: 1 Synthesis Route

62-76-0 207 Suppliers

6153-56-6 376 Suppliers

Literatures:
Zaher, Joseph J.; Fritzler, Bryan C.; Hutchison, Scott N. Patent: US2007/66847 A1, 2007 ; Location in patent: Page/Page column 2-3 ;
Yield: ~55%

8. Precursor and Product

precursor:

62-76-0

product :

6262-24-4

80708-25-4

6309-61-1

620-81-5

100516-90-3

547-68-2

38281-52-6

78966-09-3

144-62-7

2379-56-8

814-91-5

15804-19-0

41349-15-9

640-67-5

101-09-7

View all

9. Other Information

9.0 Storage features: Separated from strong oxidants and food and feedstuffs.

9.1 Fire Hazards: Combustible. Gives off irritating or toxic fumes (or gases) in a fire.

9.2 Spillage Disposal: Personal protection: particulate filter respirator adapted to the airborne concentration of the substance, protective gloves and safety goggles. Sweep spilled substance into covered plastic containers. If appropriate, moisten first to prevent dusting. Wash away remainder with plenty of water.

9.3 Inhalation Risk: Evaporation at 20 °C is negligible; a harmful concentration of airborne particles can, however, be reached quickly when dispersed.

9.4 Effects Of Short Term Exposure: The substance is corrosive to the eyes, skin and respiratory tract. Corrosive on ingestion. The substance may cause effects on the calcium balance after ingestion. Exposure at high levels could cause death.

9.5 Fire Prevention: NO open flames.

9.6 Exposure Prevention: PREVENT DISPERSION OF DUST!

9.7 Inhalation Prevention: Use ventilation (not if powder), local exhaust or breathing protection.

9.8 Skin Prevention: Protective gloves. Protective clothing.

9.9 Eye Pprevention: Wear face shield or eye protection in combination with breathing protection.

9.10 First Aid

Fresh air, rest. Half-upright position. Refer immediately for medical attention.

Remove contaminated clothes. Rinse skin with plenty of water or shower for at least 15 minutes. Refer for medical attention .

Rinse with plenty of water (remove contact lenses if easily possible). Refer immediately for medical attention.

9.11 Symptoms

Cough. Sore throat. Burning sensation. Shortness of breath. Laboured breathing. Headache.

Redness. Pain. Skin burns.

Redness. Pain. Blurred vision. Burns.

9.12 Production: 100,000 - 500,000 lb

9.13 Manufacturing Info: Soap, cleaning compound, and toilet preparation manufacturing

9.14 Use Classification: Veterinary drugs -> VarroMed -> EMA Drug Category|Ectoparasiticides for topical use, incl. insecticides -> Veterinary pharmacotherapeutic group|Veterinary drugs -> Dany's BienenWohl -> EMA Drug Category|Ectoparasiticides for topical use, incl. insecticides, Ectoparaciticides, insecticides and repellents -> Veterinary pharmacotherapeutic group|Veterinary drugs -> Oxybee -> EMA Drug Category

9.15 Usage: Oxalic acid dihydrate acts as an analytical reagent, as a reducing agent for photographic films and as a mordant in dyeing process. It is used as a plating agent, a surface treating agent, a grinding agent, a precipitating agent in rare-earth mineral processing, a bleaching agent in textile and a purifying agent in pharmaceutical industry. It plays an important role in antibiotic medication like oxytetracycline and chloramphenicol. It finds application in water treatment plants to remove calcium waste water. It is also used as a buffer in chromatographic separation as well as bleach for wood, removing black stains caused by water penetration.

9.16 Usage: As an analytical reagent, in dye and paint industries, in polymers, in metal treatment, in cleaning and textile finishing and as a reagent for dehydration and condensation Oxalic acid dihydrate acts as an analytical reagent, as a reducing agent for photographic films and as mordant in the dyeing process. It is used as a plating agent, a surface treating agent, a grinding agent, a precipitating agent in rare-earth mineral processing, a bleaching agent in textile and a purifying agent in the pharmaceutical industry. It plays an important role in antibiotic medication like oxytetracycline and chloramphenicol. It finds application in water treatment plants to remove calcium waste water. It is also used as a buffer in chromatographic separation as well as bleach for wood, removing black stains caused by water penetration.

9.17 Merck: 14,6911

9.18 BRN: 3679436

9.19 Chemical Properties: white crystals

9.20 Uses: Oxalic acid dihydrate is a purifying agent in pharmaceutical industry, special in antibiotic medication, such as Oxytetracycline , Chloramphenicol , etc; * Precipitating agent in Rare-earth mineral processing; * Bleaching agent in the textile activities, wood pulp bleaching; * Rust-remover for Metal treatment; * Grinding agent, such as Marble polishing; * Waste water treatment, removing calcium from water.

9.21 Uses: A diprotic reducing agent used as a buffer.

9.22 Uses: Oxalic acid occurs in the cell sap of Oxalisand Rumex species of plants as the potassium and calcium salt. It is the metabolicproduct of many molds (Merck 1989). Thereare a large number of applications of thiscompound, including indigo dyeing; calicoprinting; removal of paint, rust, and inkstains; metal polishing; bleaching leather; inpesticide compositions and manufacture ofoxalates. It is also used as an analyticalreagent and as a reducing agent in organicsynthesis.
Addition of oxalic acid to chromic acid forthe anodizing of Al alloy has been reported tomodify the morphology and improve the corrosion performance of anodic films (Moutarlier et al. 2004). Also, it is a very effectiveadditive for the ozone treatment of cellulose.It prevents the degradation of cellulose fromozone bleaching.

9.23 General Description: Oxalic acid dihydrate (OAD) crystals are reported to be monoclinic with P2₁/n space group. The electron density of OAD has been obtained using X-ray diffraction studies under high resolution.

10. Computational chemical data

Molecular Weight: 126.064g/mol
Molecular Formula: C₂H₆O₆
Compound Is Canonicalized: True
XLogP3-AA: null
Exact Mass: 126.01643791
Monoisotopic Mass: 126.01643791
Complexity: 71.5
Rotatable Bond Count: 1
Hydrogen Bond Donor Count: 4
Hydrogen Bond Acceptor Count: 6
Topological Polar Surface Area: 76.6
Heavy Atom Count: 8
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Isotope Atom Count: 0
Covalently-Bonded Unit Count: 3
CACTVS Substructure Key Fingerprint: AAADcYBAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAACgAACAAAAAAAgAAACAAAAgAIAACQCAIAAAAAAAAAAABAAAABAAAAAAAAAAAAAAABAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

11. Question & Answer

What is the chemical formula of Oxalic acid dihydrate? Aug 14 2023
Answer: The chemical formula of Oxalic acid dihydrate is C2H4O4. What are the characteristics and properties of Oxalic acid dihydrate? Answer: Oxalic acid dihydrate, also known as oxalic acid, is an o..

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Oxalic acid dihydrate