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

Item Number

A298696

Grouped product items
SKU	Size	Availability	Price	Qty
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	+-

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

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
InChi Key	AXLMPTNTPOWPLT-UHFFFAOYSA-N
Canonical 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

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

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

Analytical Chart:

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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
G2215035	Certificate of Analysis	Jul 20, 2022	A298696
G2215041	Certificate of Analysis	Jul 20, 2022	A298696
G2215074	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

Safety and Hazards(GHS)

Pictogram(s)	GHS06, GHS07
Signal	Danger
Hazard Statements	H315:Causes skin irritation H301:Toxic if swallowed H311:Toxic in contact with skin H302:Harmful if swallowed
Precautionary Statements	P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of water. P321:Specific treatment (see ... on this label). P405:Store locked up. P501:Dispose of contents/container to ... P264:Wash hands [and …] thoroughly after handling. P270:Do not eat, drink or smoke when using this product. P362+P364:Take off contaminated clothing and wash it before reuse. P330:Rinse mouth. P361+P364:Take off immediately all contaminated clothing and wash it before reuse. P301+P316:IF SWALLOWED: Get emergency medical help immediately. P301+P317:IF SWALLOWED: Get medical help. P332+P317:If skin irritation occurs: Get medical help. P316:Get emergency medical help immediately.
Class	6.1

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Basic Description