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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;RARECHEM AL BO 0242;5-KETOHEXANOIC ACID;4-acetylbutyri acid

CBNumber:: CB8196332

Molecular Formula:: C6H10O3

Molecular Weight:: 130.14

MDL Number:: MFCD00004412

MOL File:: 3128-06-1.mol

MSDS File:: SDS

Last updated:2024-08-12 15:55:19

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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
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)

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

Risk Statements

36/38

Safety Statements

26-36-24/25

WGK Germany

TSCA

Yes

HS Code

29183000

NFPA 704

	0
2		0

4-acetylbutyric acid price More Price(32)

Manufacturer	Product number	Product description	CAS number	Packaging	Price	Updated	Buy
Sigma-Aldrich	A13204	4-Acetylbutyric acid 97%	3128-06-1	5g	$85.5	2024-03-01	Buy
Sigma-Aldrich	A13204	4-Acetylbutyric acid 97%	3128-06-1	25g	$124	2024-03-01	Buy
TCI Chemical	K0014	5-Oxohexanoic Acid >98.0%(GC)(T)	3128-06-1	5g	$199	2024-03-01	Buy
TCI Chemical	K0014	5-Oxohexanoic Acid >98.0%(GC)(T)	3128-06-1	25g	$642	2024-03-01	Buy
Alfa Aesar	L03978	4-Acetylbutyric acid, 97%	3128-06-1	5g	$44.65	2024-03-01	Buy

Product number	Packaging	Price	Buy
A13204	5g	$85.5	Buy
A13204	25g	$124	Buy
K0014	5g	$199	Buy
K0014	25g	$642	Buy
L03978	5g	$44.65	Buy

4-acetylbutyric acid Chemical Properties,Uses,Production

Chemical Properties

Liquid

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

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.

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-methylcyclopent-2-en-1-one 5-Hydroxymethylfurfural 2-METHYL-1H-INDOLE-3-PROPANOIC ACID

4-acetylbutyric acid Suppliers

Global( 127)Suppliers

Supplier	Tel	Email	Country	ProdList	Advantage
Shaanxi Dideu Medichem Co. Ltd	+86-029-81138252 +86-18789408387	1057@dideu.com	China	3958	58
Shanghai Daken Advanced Materials Co.,Ltd	+86-371-66670886	info@dakenam.com	China	18648	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	2136	58
Accela ChemBio Inc.	+1-858-6993322	info@accelachem.com	United States	19943	58
Alchem Pharmtech,Inc.	8485655694	sales@alchempharmtech.com	United States	63687	58
CONIER CHEM AND PHARMA LIMITED	+8618523575427	sales@conier.com	China	49374	58
Hubei Ipure Biology Co., Ltd	+8613367258412	ada@ipurechemical.com	China	10319	58
Career Henan Chemica Co	+86-0371-86658258 +8613203830695	laboratory@coreychem.com	China	30241	58

Supplier	Advantage
Shaanxi Dideu Medichem Co. Ltd	58
Shanghai Daken Advanced Materials 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

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

4-Aminobutyric acid Folic acid 6-Aminocaproic acid Chlorambucil Hexyl hexanoate

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

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

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5-Oxohexanoate 5-KETOHEXANOIC 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 5-OXOHEXANOIC ACID 4-ACETYLBUTYRIC ACID 4-acetylbutyri acid 3128-06-1 3128-O6-1 128-06-1 CH3COCH23CO2H Organic Building Blocks CARBOXYLIC ACID Carbonyl Compounds C6 Building Blocks Carboxylic Acids