Basic Description

Synonyms	Allyl acetoacetate \| 1118-84-9 \| Allyl 3-oxobutanoate \| Allylacetoacetate \| (2-Propenyl) 3-oxobutanoate \| Allyl acetylacetate \| Acetoacetic acid, allyl ester \| Butanoic acid, 3-oxo-, 2-propenyl ester \| prop-2-en-1-yl 3-oxobutanoate \| prop-2-enyl 3-oxobutanoate \| Acetoacetic
Specifications & Purity	≥95%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Keto acids and derivatives
    - Subclass Beta-keto acids and derivatives

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Keto acids and derivatives
Subclass	Beta-keto acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Beta-keto acids and derivatives
Alternative Parents	Fatty acid esters 1,3-dicarbonyl compounds Ketones Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework	Aliphatic acyclic compounds
Substituents	Fatty acid ester - Beta-keto acid - Fatty acyl - 1,3-dicarbonyl compound - Ketone - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as beta-keto acids and derivatives. These are organic compounds containing an aldehyde substituted with a keto group on the C3 carbon atom.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

Pubchem Sid	504754556
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504754556
IUPAC Name	prop-2-enyl 3-oxobutanoate
INCHI	InChI=1S/C7H10O3/c1-3-4-10-7(9)5-6(2)8/h3H,1,4-5H2,2H3
InChIKey	AXLMPTNTPOWPLT-UHFFFAOYSA-N
Smiles	CC(=O)CC(=O)OCC=C
Isomeric SMILES	CC(=O)CC(=O)OCC=C
UN Number	2810
Packing Group	III
Molecular Weight	142.15
Beilstein	1758569
Reaxy-Rn	1758569
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1758569&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

5 results found

Lot Number	Certificate Type	Date	Item
I2409457	Certificate of Analysis	Sep 18, 2024	A298696
I2409458	Certificate of Analysis	Sep 18, 2024	A298696
G2215041	Certificate of Analysis	Jul 20, 2022	A298696
G2215074	Certificate of Analysis	Jul 20, 2022	A298696
G2215035	Certificate of Analysis	Jul 20, 2022	A298696

Chemical and Physical Properties

Sensitivity	Air Sensitive
Refractive Index	1.439
Flash Point(°F)	67°C
Flash Point(°C)	67°C
Boil Point(°C)	194-195°C
Melt Point(°C)	-85 °C
Molecular Weight	142.150 g/mol
XLogP3	0.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	142.063 Da
Monoisotopic Mass	142.063 Da
Topological Polar Surface Area	43.400 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	149.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

Documents & Articles

Clemmensen Reduction

Categories: Technical articles

Tags:

Clemmensen Reduction

Citations of This Product

How to Cite Aladdin Scientific Products?

1. Xuefei Cao, Mingyang Xin, Jiaxin Yin. (2024) A Novel Cellulose-Supported Polymer Electrolyte with High Ionic Conductivity for Lithium Metal Batteries. MOLECULES, 29 (23): (5487).
2. Youlan Zou, Yanhong He, Huiyao Li, Shiyan Deng, Wenhao Tang, Shuang Deng. (2024) PEO-based electrolyte filled with UV-cured 3D cross-linked polymer network for lithium metal batteries. Journal of Energy Storage, 104 (114619).

Solution Calculators

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SKU	Size	Availability	Price
A298696-25ml	25ml	4	$9.90
A298696-100ml	100ml	1	$28.90
A298696-500ml	500ml	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$126.90

Allyl acetoacetate - 95%, high purity , CAS No.1118-84-9