Citric acid monohydrate - CAS 5949-29-1

Catalog:	BB030405
Product Name:	Citric acid monohydrate
CAS:	5949-29-1
Synonyms:	2-Hydroxy-1,2,3-propanetricarboxylic Acid Monohydrate; 2-Hydroxy-1,2,3-propanetricarboxylic Acid Hydrate; Citric acid hydrate; 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, monohydrate
Application:	Therapy, reduce weight, body care, acid stomach for spices and drunk

Technical Data

Related CAS:	77-92-9 (anhydrous)
IUPAC Name:	2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate
Description:	Citric acid monohydrate is widely used in pharmaceutical formulations and foods to regulate the pH of solutions. Citric acid monohydrate is used as a sequestering agent and antioxidant synergist.
Molecular Weight:	210.14
Molecular Formula:	C6H10O8
Canonical SMILES:	C(C(=O)O)C(CC(=O)O)(C(=O)O)O.O
InChI:	InChI=1S/C6H8O7.H2O/c7-3(8)1-6(13,5(11)12)2-4(9)10;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);1H2
InChI Key:	YASYEJJMZJALEJ-UHFFFAOYSA-N
Boiling Point:	309.6 ℃ at 760 mmHg
Melting Point:	148-151°C
Flash Point:	173.9ºC
Purity:	>98%
Density:	1.54 g/cm³
Solubility:	Soluble in DMSO (Slightly), Methanol (Slightly), Water (Slightly)
Appearance:	White to Off-white Solid
Storage:	Store at RT under inert atmosphere
Decomposition:	175 °c
MDL:	MFCD00149972
LogP:	-1.31280
Quality Standard:	Enterprise Standard
Refractive Index:	n20/D 1.359(lit.)
Stability:	Stable. Incompatible with oxidizing agents, bases, reducing agents, nitrates.
Vapor Pressure:	184 mm Hg ( 20 °C)

GHS Hazard Statement:	H315 (20.51%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

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PMID	Publication Date	Title	Journal
30019796	20180801	Sodium Acetate, Sodium Acid Pyrophosphate, and Citric Acid Impacts on Isolated Peripheral Lymphocyte Viability, Proliferation, and DNA Damage	Journal of biochemical and molecular toxicology
30054523	20180727	Analysis of naturally occurring mutations in the human uptake transporter NaCT important for bone and brain development and energy metabolism	Scientific reports
29661354	20180401	Fatal Hypermagnesemia Due to Laxative Use	The American journal of the medical sciences
28115647	20170301	Urinary Time- or Dose-Dependent Metabolic Biomarkers of Aristolochic Acid-Induced Nephrotoxicity in Rats	Toxicological sciences : an official journal of the Society of Toxicology
27941970	20161201	Extensive Regulation of Diurnal Transcription and Metabolism by Glucocorticoids	PLoS genetics

Complexity:	227
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	210.03756727
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	8
Hydrogen Bond Donor Count:	5
Isotope Atom Count:	0
Monoisotopic Mass:	210.03756727
Rotatable Bond Count:	5
Topological Polar Surface Area:	133 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0