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4-acetylbutyric acid

4-acetylbutyric acid structure

CAS No.: 3128-06-1

Chemical Name:: 4-acetylbutyric acid

Synonyms: 5-OXOHEXANOIC ACID;4-ACETYLBUTYRIC ACID;Glurate;5-Oxohexanoate;Ketohexanoicacid;5-oxo-hexanoicaci;5-Ketocaproic acid;5-KETOHEXANOIC ACID;RARECHEM AL BO 0242;4-acetylbutyri acid

CBNumber:: CB8196332

Molecular Formula:: C6H10O3

Molecular Weight:: 130.14

MDL Number:: MFCD00004412

MOL File:: 3128-06-1.mol

MSDS File:: SDS

TDS File:: TDS

Last updated:2026-05-20 15:44:38

Product description	Number	Pack Size	Price
4-Acetylbutyric acid 97%	A13204	5g	$93.8
4-Acetylbutyric acid 97%	A13204	25g	$341
5-Oxohexanoic Acid >98.0%(GC)(T)	K0014	5g	$169
5-Oxohexanoic Acid >98.0%(GC)(T)	K0014	25g	$546
4-Acetylbutyric acid 97%	A41468	1g	$25
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4-acetylbutyric acid Properties

Melting point	13-14 °C(lit.)
Boiling point	274-275 °C(lit.)
Density	1.09 g/mL at 25 °C(lit.)
refractive index	n20/D 1.4451(lit.)
Flash point	>230 °F
storage temp.	Sealed in dry,Room Temperature
solubility	Chloroform (Slightly), Methanol (Slightly)
pka	4.63±0.10(Predicted)
form	Off-White Semi-Solid
color	Colorless to Red to Green
Water Solubility	Slightly soluble in water, chloroform and methanol.
BRN	385840
InChI	1S/C6H10O3/c1-5(7)3-2-4-6(8)9/h2-4H2,1H3,(H,8,9)
InChIKey	MGTZCLMLSSAXLD-UHFFFAOYSA-N
SMILES	CC(=O)CCCC(O)=O
CAS DataBase Reference	3128-06-1(CAS DataBase Reference)
FDA UNII	RO0W8YUJ2W
NIST Chemistry Reference	4-Acetylbutyric acid(3128-06-1)
EPA Substance Registry System	Hexanoic acid, 5-oxo- (3128-06-1)
UNSPSC Code	12352100
NACRES	NA.22

SAFETY

Risk and Safety Statements

Symbol(GHS)

GHS07

Signal word

Warning

Hazard statements

H315-H319

Precautionary statements

P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P280a-P305+P351+P338-P321-P332+P313-P337+P313

PPE

Eyeshields, Gloves

Risk Statements

36/38

Safety Statements

26-36-24/25

WGK Germany

TSCA

TSCA listed

HS Code

29183000

Storage Class

10 - Combustible liquids

NFPA 704

	0
2		0

4-acetylbutyric acid price More Price(53)

Manufacturer	Product number	Product description	CAS number	Packaging	Price	Updated	Buy
Sigma-Aldrich	A13204	4-Acetylbutyric acid 97%	3128-06-1	5g	$93.8	2026-04-30	Buy
Sigma-Aldrich	A13204	4-Acetylbutyric acid 97%	3128-06-1	25g	$341	2026-04-30	Buy
TCI Chemical	K0014	5-Oxohexanoic Acid >98.0%(GC)(T)	3128-06-1	5g	$169	2026-04-30	Buy
TCI Chemical	K0014	5-Oxohexanoic Acid >98.0%(GC)(T)	3128-06-1	25g	$546	2026-04-30	Buy
Synthonix	A41468	4-Acetylbutyric acid 97%	3128-06-1	1g	$25	2026-05-06	Buy

Product number	Packaging	Price	Buy
A13204	5g	$93.8	Buy
A13204	25g	$341	Buy
K0014	5g	$169	Buy
K0014	25g	$546	Buy
A41468	1g	$25	Buy

4-acetylbutyric acid Chemical Properties,Uses,Production

Chemical Properties

Liquid

Uses

4-Acetylbutyric acid is used in the synthesis of selective indomethacin analogues for AKR1C3 inhibition in the treatment of castrate-resistant prostate cancer. It is also used to prepare PARP inhibitors for the treatment of cancer.

Uses

4-Acetylbutyric acid may be used in the preparation of the following compounds:
5-hydroxyhexanoic acid
6-methyl1-3,4-dihydro-pyran-2-one, precursor for 5-acetyl-tetrahydro-2-(3H)-furanone
substituted N-aminolactams
(±)-5-methyl-δ-valerolactone
Crystal Structure of T.th. HB8 O-acetylserine sulfhydrylase Complexed with 4-Acetylbutyric acid

Definition

ChEBI: 4-acetylbutyric acid is a medium-chain fatty acid comprising hexanoic acid carrying a 5-oxo group. It has a role as a bacterial xenobiotic metabolite. It is a 5-oxo monocarboxylic acid, an oxo fatty acid, a medium-chain fatty acid and a straight-chain fatty acid. It derives from a hexanoic acid. It is a conjugate acid of a 5-oxohexanoate.

Synthesis Reference(s)

Synthetic Communications, 10, p. 205, 1980 DOI: 10.1080/00397918008064223
Tetrahedron, 41, p. 2163, 1985 DOI: 10.1016/S0040-4020(01)96588-3

4-acetylbutyric acid synthesis

Synthesis of 4-acetylbutyric acid from 5-HEXYNOIC ACID

4-acetylbutyric acid Preparation Products And Raw materials

Raw materials

1,3-Cyclohexanedione 2-Cyclohexen-1-one, 2-hydroxy-3-methyl- methyl 5-oxohexanoate 2-Methylcyclopentanone 1-Methylcyclopentene

5-HEXENOIC ACID 1-METHYL-1-CYCLOHEXENE 3-Methyl-2-cyclohexen-1-one 5-HEXYNOIC ACID D(+)-Glucose

Ethylene glycol

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Preparation Products

3-Methyl-2-cyclopentenone 5-Hydroxymethylfurfural 2-METHYL-1H-INDOLE-3-PROPANOIC ACID

4-acetylbutyric acid Suppliers

Global( 135)Suppliers

Supplier	Tel	Email	Country	ProdList	Advantage
Shaanxi Dideu Medichem Co. Ltd	+86-029-81138252 +86-173 9270 1263	1057@dideu.com	China	4000	58
Chembon Pharmaceutical Co., Ltd.	+86-28-8425-2981		CHINA	722	55
Nanjing ChemLin Chemical Industry Co., Ltd.	025-83697070	product@chemlin.com.cn	CHINA	3009	60
Zhejiang ZETian Fine Chemicals Co. LTD	+8618957127338	stella@zetchem.com	China	2994	58
Accela ChemBio Inc.	+1-858-6993322	info@accelachem.com	United States	21193	58
Alchem Pharmtech,Inc.	8485655694	sales@alchempharmtech.com	United States	63687	58
CONIER CHEM AND PHARMA LIMITED	+8618523575427	sales@conier.com	China	49979	58
Hubei Ipure Biology Co., Ltd	+8613367258412	ada@ipurechemical.com	China	10236	58
Career Henan Chemica Co	+86-0371-86658258 +8613203830695	laboratory@coreychem.com	China	30225	58
Hefei TNJ Chemical Industry Co.,Ltd.	+86-0551-65418671 +8618949823763	sales@tnjchem.com	China	34563	58

Supplier	Advantage
Shaanxi Dideu Medichem Co. Ltd	58
Chembon Pharmaceutical Co., Ltd.	55
Nanjing ChemLin Chemical Industry Co., Ltd.	60
Zhejiang ZETian Fine Chemicals Co. LTD	58
Accela ChemBio Inc.	58
Alchem Pharmtech,Inc.	58
CONIER CHEM AND PHARMA LIMITED	58
Hubei Ipure Biology Co., Ltd	58
Career Henan Chemica Co	58
Hefei TNJ Chemical Industry Co.,Ltd.	58

View Lastest Price from 4-acetylbutyric acid manufacturers

Update time	Product	Price	Min. Order	Purity	Supply Ability	Manufacturer
2024-08-12	4-acetylbutyri acid 3128-06-1	US $1.00 / KG	1KG	99%	20T	Shaanxi Dideu Medichem Co. Ltd
2024-07-07	5-Ketocaproic acid 3128-06-1	US $1.00 / Kg	1Kg	98%	20T	Shaanxi Dideu Medichem Co. Ltd
2021-07-02	5-Oxohexanoate 3128-06-1	US $15.00-10.00 / KG	1KG	99%+ HPLC	Monthly supply of 1 ton	Zhuozhou Wenxi import and Export Co., Ltd

4-acetylbutyri acid
3128-06-1
US $1.00 / KG
99%
Shaanxi Dideu Medichem Co. Ltd

5-Ketocaproic acid
3128-06-1
US $1.00 / Kg
98%
Shaanxi Dideu Medichem Co. Ltd

5-Oxohexanoate
3128-06-1
US $15.00-10.00 / KG
99%+ HPLC
Zhuozhou Wenxi import and Export Co., Ltd

4-acetylbutyric acid Spectrum

4-acetylbutyric acid(3128-06-1)MS 4-acetylbutyric acid(3128-06-1)¹HNMR 4-acetylbutyric acid(3128-06-1)¹³CNMR 4-acetylbutyric acid(3128-06-1)IR1 4-acetylbutyric acid(3128-06-1)Raman

3128-06-1(4-acetylbutyric acid)Related Search:

Indole-3-butyric acid Allyl hexanoate EPA Methyl hexanoate CELLULOSE ACETATE BUTYRATE

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Butyric Acid Hydrocortisone-17-butyrate Ethyl Hexanoate Citric acid Ascoric Acid

4-BENZOYLBUTYRIC ACID Ethyl 4-acetylbutyrate DIETHYL 2-ACETYLGLUTARATE

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5-Oxohexanoate 5-OXOHEXANOIC ACID 5-KETOHEXANOIC ACID 4-ACETYLBUTYRIC ACID 5-Ketohexanoic acid~5-Oxohexanoic acid Ketohexanoicacid γ-Acetylbutyric acid 4-Acetylbutyric acid,5-Ketohexanoic acid RARECHEM AL BO 0242 5-Ketocaproic acid 5-oxo-hexanoicaci delta-Ketocaproic acid delta-Oxocaproic acid gamma-Acetylbutyric acid Hexanoic acid, 5-oxo- 5-OxohexanoicAcid> 4-Acetylbutyric acid-97% Glurate 4-acetylbutyri acid 3128-06-1 3128-O6-1 128-06-1 CH3COCH23CO2H Organic Building Blocks CARBOXYLIC ACID Carbonyl Compounds Building Blocks Carboxylic Acids C6