2,3-Dihydroxybutanedioic acid
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2,3-Dihydroxybutanedioic acid
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CAS No:
526-83-0
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Formula:
C4H6O6
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Chemical Name:
2,3-Dihydroxybutanedioic acid
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Synonyms:
Butanedioic acid,2,3-dihydroxy-;2,3-Dihydroxybutanedioic acid;2,3-Dihydroxy-succinic acid;2088032-47-5;2576657-48-0
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CAS No:
Description
DryPowder; Liquid; PelletsLargeCrystals|WHITE CRYSTALLINE POWDER.
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 human xenobiotic metabolite and a plant metabolite. It is a conjugate acid of a 3-carboxy-2,3-dihydroxypropanoate.
2,3-Dihydroxybutanedioic acid Basic Attributes
150.08700
150.09
201-766-0|212-769-1|205-105-7|610-885-0
0772
133735|608773|148314|62778
DTXSID5046986
COLORLESS CRYSTALS OR WHITE, CRYSTALLINE POWDER|SLIGHTLY OPAQUE CRYSTALS
2918120000
Characteristics
115.06000
-2.12260
white crystalline diprotic organic acid
1.886g/cm3
173.625 °C|206 °C
399.3ºC at 760mmHg
209.4ºC
1 G DISSOLVES IN 162 ML WATER, IN 16 ML BOILING WATER, IN 8820 ML ALCOHOL; READILY SOL IN DILUTED MINERAL ACIDS; SOL IN SOLN OF ALKALIES OR BORAX; IN WATER APPROX 0.4% @ 10 °C TO 6% @ 100 °C|Solubility in water, g/100ml at 20 °C: 20.6
PLEASANT ACIDULOUS TASTE
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]
COLORLESS, RHOMBIC CRYSTALS; SOL IN ACID, ALKALIES; INSOL IN ALC, ACETIC ACID; INDEX OF REFRACTION: 1.511, 1.550, 1.590 /D-FORM/|COLORLESS MONOCLINIC CRYSTALS; SOL IN MINERAL ACID, INSOL IN ALCOHOL; DENSITY: 1.954 /DL-FORM/
425 °C
Safety Information
121.101; LIMITATIONS: GRAS, MISCELLANEOUS AND/OR GENERAL-PURPOSE FOOD ADDITIVE AND AS A SEQUESTRANT.
Combustible.
|Danger|H315 (29.85%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 643 companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H302 (44.29%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P272, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 4646 companies from 29 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Use water spray, powder, foam, carbon dioxide.
Personal protection: particulate filter respirator adapted to the airborne concentration of the substance. Sweep spilled substance into covered containers. If appropriate, moisten first to prevent dusting.
Evaporation at 20 °C is negligible; a harmful concentration of airborne particles can, however, be reached quickly when dispersed.
Corrosive. The substance is corrosive to the eyes, skin and respiratory tract. Corrosive on ingestion. Inhalation of the aerosol may cause lung oedema. The effects may be delayed. Medical observation is indicated.
NO open flames.
PREVENT DISPERSION OF DUST! AVOID ALL CONTACT!
Use local exhaust or breathing protection.
Protective gloves. Protective clothing.
Wear face shield or eye protection in combination with breathing protection.
Drug Information
Stress incontinence, female
Fresh air, rest. Half-upright position. Artificial respiration may be needed. Refer for medical attention.
Remove contaminated clothes. Rinse and then wash skin with water and soap. Refer for medical attention .
First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.
(R*,R*)-(+-)-2,3-dihydroxybutanedioic acid, monoammonium monosodium salt
The substance can be absorbed into the body by inhalation and by ingestion.
Burning sensation. Cough. Shortness of breath. Sore throat. Symptoms may be delayed.
Redness. Pain. Blisters.
Redness. Pain. Severe deep burns.
2,3-Dihydroxybutanedioic acid Use and Manufacturing
REACTION OF TARTARIC ACID, POTASSIUM SODIUM TARTRATE (ROCHELLE SALT), AND POTASSIUM SULFATE, FOLLOWED BY FILTRATION, PURIFICATION, PRECIPITATION, & DRYING|OBTAINED FROM SEDIMENTS IN MANUFACTURE OF WINE, KNOWN AS ARGOLS OR WINE LEES. SALT IS @ LEAST 99.5% PURE.|BY PURIFYING ARGOL OR TARTAR- SUBSTANCE DEPOSITED IN WINE CASKS DURING FERMENTATION OF GRAPE JUICE, WHICH SUBSTANCE CONSISTS OF ABOUT 80% POTASSIUM BITARTRATE.|FROM WINE LEES BY EXTRACTION WITH WATER & CRYSTALLIZATION.
Fuels and fuel additives
Ink, toner, and colorant products
500,000 - 1,000,000 lb|(1972) GREATER THAN 4.54X10+5 GRAMS|(1975) GREATER THAN 4.54X10+5 GRAMS
THIS SALT IS ONE OF THE INGREDIENTS IN COMPD JALAP POWDER, FORMERLY IN THE NF.|SALT IS @ LEAST 99.5% PURE.|GRADES: TECHNICAL; NF; FCC.
All other chemical product and preparation manufacturing|Butanedioic acid, 2,3-dihydroxy- (2R,3R)-: ACTIVE|Butanedioic acid, 2,3-dihydroxy-, (2R,3R)-rel-: ACTIVE|Butanedioic acid, 2,3-dihydroxy- (2R,3R)-, potassium salt (1:1): ACTIVE|INCOMPATIBILITIES: BECAUSE IT CONTAINS AN ACIDIC HYDROGEN, IT CAN REACT WITH ALKALINE SUBSTANCES. ITS SLIGHT SOLUBILITY SOMETIMES CAUSES DIFFICULTY IN LIQ MIXTURES.
CREAM OF TARTAR DETERMINED BY TITRATION.
EPA Safer Chemical Functional Use Classes -> Processing Aids and Additives|Safer Chemical Classes -> Green half-circle - The chemical is expected to be of low concern|Food additives -> Flavoring Agents|Human Drugs -> EU pediatric investigation plans|Human Drugs -> FDA Approved Drug Products with Therapeutic Equivalence Evaluations (Orange Book) -> Active Ingredients|Flavouring Agent -> FLAVOURING_AGENT; -> JECFA Functional ClassesFood Additives -> ACID; -> JECFA Functional ClassesFood Additives -> ANTIOXIDANT_SYNERGIST; -> JECFA Functional ClassesFood Additives -> EMULSIFIER; -> JECFA Functional ClassesFood Additives -> SEQUESTRANT; -> JECFA Functional ClassesFood Additives -> SYNERGIST; -> JECFA Functional Classes|Cosmetics -> Buffering
Flavoring Agents|Flavouring Agent -> FLAVOURING_AGENT; Food Additives -> ACID; Food Additives -> ANTIOXIDANT_SYNERGIST; Food Additives -> EMULSIFIER; Food Additives -> SEQUESTRANT; Food Additives -> SYNERGIST;
Computed Properties
Molecular Weight:150.09
XLogP3:-1.9
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:150.01643791
Monoisotopic Mass:150.01643791
Topological Polar Surface Area:115
Heavy Atom Count:10
Complexity:134
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Drug Function and Efficacy
Not yet clear
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