Cas no 2052-15-5 (Butyl 4-oxopentanoate)

Butyl 4-oxopentanoate is an ester compound characterized by its ketone and ester functional groups, making it a versatile intermediate in organic synthesis. Its molecular structure, combining a butyl ester moiety with a γ-keto functionality, enables applications in the production of fine chemicals, pharmaceuticals, and flavoring agents. The compound exhibits moderate polarity, facilitating its use in reactions requiring controlled solubility. Its stability under standard conditions and predictable reactivity profile make it a reliable choice for synthetic workflows. Butyl 4-oxopentanoate is particularly valued for its role in Michael additions and other carbonyl-based transformations, offering synthetic efficiency in multi-step processes.

Butyl 4-oxopentanoate structure

Product Name:Butyl 4-oxopentanoate

CAS No:2052-15-5

MF:C₉H₁₆O₃

MW:172.221543312073

CID:42402

PubChem ID:24901088

Update Time:2025-08-04

Butyl 4-oxopentanoate Chemical and Physical Properties

Names and Identifiers

- Butyl 4-oxopentanoate
- n-butyl 4-oxopentanoate
- Levulinic acid n-butyl ester
- 2,4,5-Trimethoxyamphetamine Hydrochloride
- Butyl levulinate
- 4-Oxovaleric acid butyl ester
- Butyl 4-ketovalerate
- Butyl 4-Oxovalerate
- Butyl acetylpropionate
- Butyl laevulinate
- butyl-4-oxopentanoate
- Laevulinsaeure-butylester
- Levulinic Acid Butyl Ester
- n-Butyl laevulinate
- n-Butyl levulinate
- Pentanoic acid,4-oxo-,butyl ester
- 4-Oxo-pentanoic acid butyl ester
- MDL： MFCD00009209
- Inchi： 1S/C9H16O3/c1-3-4-7-12-9(11)6-5-8(2)10/h3-7H2,1-2H3
- InChI Key： ISBWNEKJSSLXOD-UHFFFAOYSA-N
- SMILES： CCCCOC(CCC(=O)C)=O

Computed Properties

Exact Mass: 172.11000
Monoisotopic Mass: 172.109944
Isotope Atom Count: 0
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 3
Heavy Atom Count: 12
Rotatable Bond Count: 7
Complexity: 152
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count : 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Surface Charge: 0
Tautomer Count: 3
XLogP3: 1
Topological Polar Surface Area: 43.4

Experimental Properties

Color/Form: liquid
Density: 0.974
Boiling Point: 237°C
Flash Point: 91 oC
Refractive Index: 1.427-1.429
Water Partition Coefficient: Slightly soluble in water.
PSA: 43.37000
LogP: 1.69890
FEMA: 2207
Solubility: Not determined

Butyl 4-oxopentanoate Security Information

Prompt：warning
Hazard Statement： H316
Warning Statement： P332+P313
WGK Germany：2
Safety Instruction： S24/25
RTECS：OI1700000
Hazardous Material Identification：
TSCA：Yes
Packing Group：I; II; III
Hazard Level：6.1
Safety Term：6.1
Packing Group：I; II; III
Storage Condition：Keep away from high temperature, sparks, flames and fire sources. Store in tightly closed containers. Store in a cool, dry, well ventilated area away from incompatible substances.

Butyl 4-oxopentanoate Customs Data

HS CODE：2918300090
Customs Data：

China Customs Code:
2918300090

Overview:

2918300090 Other aldehydes or ketones without other oxy carboxylic acids(Including anhydrides\Acyl halide\Peroxides, peroxyacids and derivatives of this tax number). VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%

Declaration elements:

Product Name, component content, use to

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%

Butyl 4-oxopentanoate Pricemore >>

Related Categories	No.	Product Name	Cas No.	Purity	Specification	Price	update time
SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd.	B119906-100ml	Butyl 4-oxopentanoate	2052-15-5	98%	100ml	￥96.90	2023-09-04
SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd.	B119906-500ml	Butyl 4-oxopentanoate	2052-15-5	98%	500ml	￥366.90	2023-09-04
SHANG HAI YI EN HUA XUE JI SHU Co., Ltd.	R015754-100ml	Butyl 4-oxopentanoate	2052-15-5	98%	100ml	￥89	2024-05-25
SHANG HAI YI EN HUA XUE JI SHU Co., Ltd.	R015754-500ml	Butyl 4-oxopentanoate	2052-15-5	98%	500ml	￥329	2024-05-25
SHANG HAI YI EN HUA XUE JI SHU Co., Ltd.	R015754-2.5L	Butyl 4-oxopentanoate	2052-15-5	98%	2.5L	￥1726	2022-09-30
SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd.	B803423-2.5L	Butyl levulinate	2052-15-5	98.0 %	2.5L	838.00	2021-05-17
TRC	B205215-1ml	Butyl 4-Oxopentanoate	2052-15-5		1ml	$ 58.00	2023-04-19
TRC	B205215-5ml	Butyl 4-Oxopentanoate	2052-15-5		5ml	$ 69.00	2023-04-19
TRC	B205215-10ml	Butyl 4-Oxopentanoate	2052-15-5		10ml	$ 87.00	2023-04-19
Ambeed	A133151-500g	Butyl 4-oxopentanoate	2052-15-5	95%	500g	$51.0	2024-07-28

Butyl 4-oxopentanoate Suppliers

Tiancheng Chemical (Jiangsu) Co., Ltd

Gold Member

Audited Supplier

(CAS:2052-15-5)乙酰丙酸丁酯

Order Number:LE27056836

Stock Status:in Stock

Quantity:25KG,200KG,1000KG

Purity:99%

Pricing Information Last Updated:Friday, 20 June 2025 13:03

Price ($):discuss personally

Email:[email protected]

Butyl 4-oxopentanoate Related Literature

1. Influence of butanol isomers on the reactivity of cellulose towards the synthesis of butyl levulinates catalyzed by liquid and solid acid catalysts

Alexandre Démolis,Marion Eternot,Nadine Essayem,Franck Rataboul New J. Chem. 2016 40 3747
2. Green solvents for organic thin-film transistor processing

Dongil Ho,Jeongyeon Lee,Sangyun Park,Yonghan Park,Kwanghee Cho,Filippo Campana,Daniela Lanari,Antonio Facchetti,SungYong Seo,Choongik Kim,Assunta Marrocchi,Luigi Vaccaro J. Mater. Chem. C 2020 8 5786
3. Physicochemical properties of green solvents derived from biomass

Laura Lomba,Beatriz Giner,Isabel Bandrés,Carlos Lafuente,M a Rosa Pino Green Chem. 2011 13 2062
4. Carbon nanotube/PTFE as a hybrid platform for lipase B from Candida antarctica in transformation of α-angelica lactone into alkyl levulinates

Anna Szelwicka,Anna Kolanowska,Piotr Latos,Sebastian Jurczyk,Slawomir Boncel,Anna Chrobok Catal. Sci. Technol. 2020 10 3255
5. Efficient synthesis of butyl levulinate from furfuryl alcohol over ordered mesoporous Ti-KIT-6 catalysts for green chemistry applications

Jimmy Nelson Appaturi,Mohd Rafie Johan,R. Jothi Ramalingam,Hamad A. Al-Lohedan,J. Judith Vijaya RSC Adv. 2017 7 55206

Related Categories

Additional information on Butyl 4-oxopentanoate

Butyl 4-Oxopentanoate: A Comprehensive Overview

Butyl 4-Oxopentanoate (CAS No. 2052-15-5) is a versatile organic compound with the molecular formula C?H??O?. It belongs to the ester family and is widely recognized for its applications in various industries, including pharmaceuticals, agrochemicals, and specialty chemicals. This compound is derived from the esterification of 4-oxopentanoic acid with butanol, resulting in a stable and functional molecule that exhibits unique chemical properties.

The structure of Butyl 4-Oxopentanoate consists of a five-carbon chain with a ketone group at the fourth position and an ester functional group at the end. This configuration imparts the compound with both hydrophilic and hydrophobic characteristics, making it suitable for a wide range of applications. The ester group enhances its solubility in organic solvents, while the ketone group contributes to its reactivity in various chemical reactions.

Recent studies have highlighted the potential of Butyl 4-Oxopentanoate in the synthesis of bioactive compounds. For instance, researchers have explored its use as an intermediate in the production of antibiotics and antifungal agents. Its ability to undergo nucleophilic acyl substitution reactions makes it an ideal precursor for generating compounds with desired pharmacological properties.

In the agrochemical sector, Butyl 4-Oxopentanoate has been utilized as a building block for herbicides and insecticides. Its role in enhancing the bioavailability of active ingredients has been well-documented, making it a valuable component in modern agricultural formulations. Furthermore, its compatibility with various formulation techniques ensures its effectiveness across different environmental conditions.

The synthesis of Butyl 4-Oxopentanoate typically involves the reaction of 4-oxopentanoic acid with butanol in the presence of an acid catalyst. This process is efficient and scalable, allowing for large-scale production to meet industrial demands. The compound's stability under standard storage conditions further adds to its desirability as an intermediate in chemical manufacturing.

From a sustainability perspective, Butyl 4-Oxopentanoate has been identified as a promising candidate for green chemistry applications. Its use in environmentally friendly processes aligns with current trends toward reducing ecological footprints in industrial operations. Researchers are actively exploring ways to optimize its synthesis and application to minimize waste and energy consumption.

In conclusion, Butyl 4-Oxopentanoate (CAS No. 2052-15-5) is a multifaceted compound with significant potential across diverse industries. Its unique chemical properties, combined with advancements in synthetic methodologies and application techniques, position it as a key player in contemporary chemical innovation.

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