541-50-4

541-50-4 structure

Name: Acetoacetic Acid
Chemical Name: acetoacetic acid
CAS Number: 541-50-4
Molecular Formula: C₄H₆O₃
Molecular Weight: 102.08900
Catalog: Research Areas Metabolic Disease
Create Date: 2018-05-15 08:00:00
Modify Date: 2024-01-05 13:15:39
Acetoacetic acid is an endogenous metabolite present in Cerebrospinal_Fluid and Blood that can be used for the research of Meningitis, Pregnancy, 3 Hydroxy 3 Methylglutaryl CoA Lyase Deficiency, Preeclampsia/Eclampsia, Diabetes Mellitus Type 2, Glucose Transporter Type 1 Deficiency Syndrome and Succinyl CoA:3 Oxoacid CoA Transferase Deficiency[1][2][3][4][5][6][7].

Name	acetoacetic acid
Synonyms	3-KETOBUTYRATE ACETOACETATE 3-ketobutyric acid acetacetic acid 3-oxobutanate diacetic acid acetoncarboxylic acid Acetoacetic Acid 3-Oxobutyric acid Acetyl acetic acid

Description	Acetoacetic acid is an endogenous metabolite present in Cerebrospinal_Fluid and Blood that can be used for the research of Meningitis, Pregnancy, 3 Hydroxy 3 Methylglutaryl CoA Lyase Deficiency, Preeclampsia/Eclampsia, Diabetes Mellitus Type 2, Glucose Transporter Type 1 Deficiency Syndrome and Succinyl CoA:3 Oxoacid CoA Transferase Deficiency[1][2][3][4][5][6][7].
Related Catalog	Research Areas >> Metabolic Disease Research Areas >> Neurological Disease
Target	Human Endogenous Metabolite
In Vitro	Endogenous metabolites is defined as those that are annotated by Kyoto Encyclopedia of Genes and Genomes as substrates or products of the ~1900 metabolic enzymes encoded in our genome. It is clear in the body of literature that there are documented toxic properties for many of these metabolites[1].
References	[1]. Lee N, et al. Endogenous toxic metabolites and implications in cancer therapy. Oncogene. 2020 Aug;39(35):5709-5720. [2]. Subramanian A, et al. Proton MR CSF analysis and a new software as predictors for the differentiation of meningitis in children. NMR Biomed. 2005 Jun;18(4):213-25. [3]. Bahado-Singh RO, et al. Metabolomics and first-trimester prediction of early-onset preeclampsia. J Matern Fetal Neonatal Med. 2012 Oct;25(10):1840-7. [4]. Morris AA, et al. Hepatic mitochondrial 3-hydroxy-3-methylglutaryl-coenzyme a synthase deficiency. Pediatr Res. 1998 Sep;44(3):392-6. [5]. Tasker RC, et al. Hyperventilation in severe diabetic ketoacidosis. Pediatr Crit Care Med. 2005 Jul;6(4):405-11. [6]. Klepper J, et al. Effects of the ketogenic diet in the glucose transporter 1 deficiency syndrome. Prostaglandins Leukot Essent Fatty Acids. 2004 Mar;70(3):321-7. [7]. Snyderman SE, et al. Succinyl-CoA:3-ketoacid CoA-transferase deficiency. Pediatrics. 1998 Apr;101(4 Pt 1):709-11.

Density	1.182g/cm3
Boiling Point	237.7ºC at 760mmHg
Molecular Formula	C₄H₆O₃
Molecular Weight	102.08900
Flash Point	111.8ºC
Exact Mass	102.03200
PSA	54.37000
LogP	0.05010
Index of Refraction	1.427

Risk Phrases	R36/37
Safety Phrases	S26-S36
RIDADR	UN 1759
Packaging Group	III
HS Code	2918300090

Precursor 10
1694-31-1 105-45-3 141-97-9 7647-01-0
950-59-4 1937-19-5 3483-11-2 2033-24-1
64-19-7 5394-63-8
DownStream 10
106012-19-5 37398-49-5 3949-36-8 143456-22-8
93-68-5 51756-08-2 93-70-9 19475-92-4
206446-98-2 607-71-6

HS Code	2918300090
Summary	2918300090 other carboxylic acids with aldehyde or ketone function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0%

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