Acetoacetic Acid

Also known as: 3-oxobutanoic acid, 3-ketobutyric acid, 3-oxobutyric acid, diacetic acid, acetylacetic acid, acetoncarboxylic acid, acetonecarboxylic acid, 3-ketobutanoic acid, acetoacetate, 3-ketobutyrate

Acetoacetic Acid (CAS 541-50-4) is a compound in the Organic Acids category listed in the Jingsj chemical database. It has the molecular formula C4H6O3 and a molecular weight of 102.08900 g/mol. Key properties include a boiling point of 237.7ºC at 760mmHg, a density of 1.182g/cm3 and a flash point of 111.8ºC. No supplier offers are currently listed; request a quote. Record last updated Aug 21, 2026.

CAS No.: 541-50-4
Jingsj CID: J-8611-3
Molecular Formula: C₄H₆O₃
Molecular Weight: 102.08900 g/mol
Category: Organic Acids
Last updated: 8/21/2026

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Physicochemical Properties

Boiling Point	237.7ºC at 760mmHg
Density	1.182g/cm3
Flash Point	111.8ºC
Exact Mass	102.03200
PSA	54.37000
LogP	0.05010
Refractive Index	1.427

Activity & Biological Data

Target	Human Endogenous Metabolite
Additional Information	[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.

Target

Human Endogenous Metabolite

Additional Information

[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.

Customs & Trade Information

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%

Frequently Asked Questions

What is the CAS number of Acetoacetic Acid?

The CAS number of Acetoacetic Acid is 541-50-4.

What are the molecular formula and molecular weight of Acetoacetic Acid?

Acetoacetic Acid has molecular formula C4H6O3 and molecular weight 102.08900 g/mol.

What are the upstream and downstream products of Acetoacetic Acid?

For Acetoacetic Acid, Upstream Products: tert-Butyl acetoacetate, Methyl acetoacetate, Ethyl acetoacetate; Downstream Products: 2-Acetylisonicotinonitrile, 3-Acetylcoumarin, 2'-Methylacetoacetanilide.

Data compiled from public chemical databases such as PubChem and supplier catalogs; supplier offers are provided by suppliers.

Last updated: 8/21/2026

How to cite: Jingsj. "Acetoacetic Acid (CAS 541-50-4)". Jingsj Chemical Database. https://www.jingsj.com/compound/J-8611-3 (accessed 2026-11-09).

Data for reference only; verify product details with suppliers before purchase.