D-Aspartic acid
- Iupac Name：(2R)-2-aminobutanedioic acid
- CAS No.: 1783-96-6
- Molecular Weight：133.10268
- Modify Date.: 2022-11-01 00:05
- Introduction: A non-essential amino acid found in food sources and dietary supplements. D-Aspartic acid's conjugate base D-aspartate has potential use as a a therapeutic agent in the treatment of schizophrenia-related symptoms.
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1. Names and Identifiers
- 1.1 Name
- D-Aspartic acid
- 1.2 Synonyms
(R)-(&minus)-Aminosuccinic acid,(R)-2-Aminosuccinic acid (R)-(-)-AMINOSUCCINIC ACID (R)-(-)-ASPARTIC ACID (R)-2-Aminosuccinic acid (R)-AMINOSUCCINIC ACID 1-Amino-1,2-carboxyethane Aspartic acid,D D(-)-Aspartic acid D-Asparaginic Acid D-Aspartate d-aspartic d-asparticaci D-Asparticacid H-D-Asp l-Asparagic acid L-Ornithine L-Aspartate Impurity 1
- 1.3 CAS No.
- 1783-96-6
- 1.4 CID
- 83887
- 1.5 EINECS(EC#)
- 217-234-6
- 1.6 Molecular Formula
- C4H7NO4 (isomer)
- 1.7 Inchi
- InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m1/s1
- 1.8 InChkey
- CKLJMWTZIZZHCS-UWTATZPHSA-N
- 1.9 Canonical Smiles
- C(C(C(=O)O)N)C(=O)O
- 1.10 Isomers Smiles
- C([C@H](C(=O)O)N)C(=O)O
2. Properties
- 2.1 Density
- 1.514 g/cm3
- 2.1 Melting point
- 300℃
- 2.1 Boiling point
- 264.1oC at 760 mmHg
- 2.1 Refractive index
- -25 ° (C=8, 50% HCl)
- 2.1 Flash Point
- 113.5oC
- 2.1 Precise Quality
- 133.03800
- 2.1 PSA
- 100.62000
- 2.1 logP
- -0.42670
- 2.1 Appearance
- white powder
- 2.2 Storage
- Ambient temperatures.
- 2.3 Chemical Properties
- White or almost white crystalline powder
- 2.4 Color/Form
- Powder
- 2.5 pKa
- pK1: 1.89(0);pK2: 3.65;pK3: 9.60 (25°C)
- 2.6 Water Solubility
- soluble
- 2.7 Spectral Properties
- Specific optical rotation: +25.0 deg (c= 1.97 g in 100 ml 6 N hydrochloric acid) at 20 deg C/D
SPECIFIC OPTICAL ROTATION (WATER): +4.36 DEG @ 20 DEG C/D
IR: 18085 (Sadtler Research Laboratories IR Grating Collection)
MASS: 30615 (NIST/EPA/MSDC Mass Spectral Database, 1990 version)
UV: 1-30 (Phillip et al., Organic Electronic Spectral Data, John Wiley & Sons, NY)
- 2.8 Stability
- Stable under normal temperatures and pressures.
- 2.9 StorageTemp
- Keep in dark place,Inert atmosphere,Room temperature
3. Use and Manufacturing
- 3.1 Definition
- ChEBI: The D-enantiomer of aspartic acid.
- 3.2 Usage
- A non-essential amino acid found in food sources and dietary supplements. D-Aspartic acid's conjugate base D-aspartate has potential use as a a therapeutic agent in the treatment of schizophrenia-related symptoms.
4. Safety and Handling
- 4.1 Hazard Codes
- Xn
- 4.1 Risk Statements
- R20/21/22
- 4.1 Safety Statements
- S24/25
- 4.1 Exposure Standards and Regulations
- L-Aspartic acid is a food additive permitted for direct addition to food for human consumption, as long as 1) the quantity of the substance added to food does not exceed the amount reasonably required to accomplish its intended physical, nutritive, or other technical effect in food, and 2) any substance intended for use in or on food is of appropriate food grade and is prepared and handled as a food ingredient.
- 4.2 Octanol/Water Partition Coefficient
- log Kow = -3.89
- 4.3 DisposalMethods
- SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.
- 4.4 RIDADR
- 25kgs
- 4.4 Formulations/Preparations
- (VET) COMMERCIALLY AVAILABLE AS MIXT OF POTASSIUM & MAGNESIUM ASPARTATES= SPARTASE. /ASPARTIC ACID/
AVAILABLE COMMERCIALLY AS D(-)-, L(+)-, & DL-ASPARTIC ACID. /ASPARTIC ACID/
150 G ASPARTIC ACID WAS POLYMERIZED IN PRESENCE OF H3PO4 TO GIVE 150 G POLY(DEHYDROASPARTIC ACID) WHICH WAS TREATED WITH MORPHOLINE. POLYMER WAS INCORPORATED INTO AN ANIONIC SHAMPOO WITH 4% CONCN.
USP and FCC grades; 99% min grade
- 4.5 WGK Germany
- 3
- 4.5 RTECS
- CI9097500
- 4.5 Safety
-
Hazard Codes?of D-Aspartic acid (CAS NO.1783-96-6):?
Xn
Risk Statements:?20/21/22-36/37/38?
R20/21/22: Harmful by inhalation, in contact with skin and if swallowed.
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements:?24/25-36-26?
S24/25: Avoid contact with skin and eyes.?
S36: Wear suitable protective clothing.?
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
WGK Germany:?3
RTECS:?CI9097500
- 4.6 Specification
-
(1)Fire Fighting Measures of D-aspartic acid?(CAS NO.1783-96-6)
General Information: As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear.?
Extinguishing Media: Use WATER spray, dry chemical, CARBON dioxide, or chemical foam.
(2)Handling and Storage of D-aspartic acid
Handling: Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.?
Storage: Store in a cool, dry place. Store in a tightly closed container.
- 4.7 Toxicity
-
1. RTECS#: CAS# 1783-96-6: CI9097500?
2. L.D50/LC50: RTECS: Not available.?
3. Carcinogenicity: D-(-)ASPARTIC ACID - Not listed as a carcinogen by ACGIH, IARC, NTP, or CA Prop 65.?
4. Other: The toxicological properties have not been fully investigated.?
?
5. MSDS
2.Hazard identification
2.1 Classification of the substance or mixture
Not classified.
2.2 GHS label elements, including precautionary statements
| Pictogram(s) | No symbol. |
| Signal word | No signal word. |
| Hazard statement(s) | none |
| Precautionary statement(s) | |
| Prevention | none |
| Response | none |
| Storage | none |
| Disposal | none |
2.3 Other hazards which do not result in classification
none
6. Synthesis Route
1783-96-6Total: 11 Synthesis Route
8. Other Information
- 8.0 Merck
- 14,840
- 8.1 BRN
- 1723529
- 8.2 Usage
- D-Aspartic acid modulates melatonin synthesis in the pineal gland.
- 8.3 Chemical Properties
- White or almost white crystalline powder
- 8.4 Uses
- A non-essential amino acid found in food sources and dietary supplements. D-Aspartic acid's conjugate base D-aspartate has potential use as a a therapeutic agent in the treatment of schizophrenia-related symptoms.
- 8.5 Definition
- ChEBI: The D-enantiomer of aspartic acid.
- 8.6 Biological Activity
- Endogenous NMDA receptor agonist with similar activity to the L-isomer (L-Aminosuccinic acid ). Also a non-metabolizable substrate for EAA uptake systems. Modulates melatonin synthesis in the pineal gland.
9. Computational chemical data
- Molecular Weight: 133.10268g/mol
- Molecular Formula: C4H7NO4
- Compound Is Canonicalized: True
- XLogP3-AA: null
- Exact Mass: 133.03750770
- Monoisotopic Mass: 133.03750770
- Complexity: 133
- Rotatable Bond Count: 3
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Topological Polar Surface Area: 101
- 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: AAADcYBiOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAQCAAACCjBgAQACABAAgAIAACQCAAAAAAAAAAAAIGAAAACABgAAAAAQAAGEAAAAABDAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
10. Question & Answer
-
Aspartic acid is a type of amino acid, chemicals typically used as building blocks for protein. D-aspartic acid, is not used to make protein but is used in other body functions. D-aspartic acid may increase testosterone in inactive men or those with low testosterone. However, it has not been shown ...
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