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Isopropenyl methyl ketone - 95%,contains HQ as stabilizer, high purity , CAS No.814-78-8

COA

Grade & Purity:

≥95%
contains HQ as stabilizer

Cas Number: 814-78-8
Molecular Weight: 84.12
Beilstein Registry Number: 1(4)3462
MDL number: MFCD00059207
PubChem CID: 13143

In stock

Item Number

I107938

Grouped product items
SKU	Size	Availability	Price
I107938-5ml	5ml	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$47.90
I107938-25ml	25ml	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$184.90
I107938-100ml	100ml	1	$663.90

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terpenes (123)

Basic Description

Synonyms	3- Methyl-3- butene-2- one (methyl isopropenyl ketone) \| 3-BUTEN,2-ONE,3-METHYL METHYL,ISOPROPENYL,KETONE \| Methyl isopropenyl ketone, inhibited \| A840140 \| 4-01-00-03462 (Beilstein Handbook Reference) \| METHYL ISOPROPENYL KETONE [HSDB] \| 3-Methyl-3-buten
Specifications & Purity	≥95%, contains HQ as stabilizer
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Class Organooxygen compounds
    - Subclass Carbonyl compounds
      - Level5 Alpha,beta-unsaturated carbonyl compounds
        Level6 Alpha,beta-unsaturated ketones
        Level7 Alpha-branched alpha,beta-unsaturated ketones

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Carbonyl compounds
Intermediate Tree Nodes	Alpha,beta-unsaturated carbonyl compounds - Alpha,beta-unsaturated ketones
Direct Parent	Alpha-branched alpha,beta-unsaturated ketones
Alternative Parents	Enones Acryloyl compounds Ketones Organic oxides Hydrocarbon derivatives
Molecular Framework	Aliphatic acyclic compounds
Substituents	Alpha-branched alpha,beta-unsaturated-ketone - Enone - Acryloyl-group - Ketone - Organic oxide - Hydrocarbon derivative - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as alpha-branched alpha,beta-unsaturated ketones. These are alpha,beta-unsaturated ketones that carry a branch on the alpha carbon. They have the generic structure RC(=O)C(R')=C, R = organyl group and R'= any heteroatom.
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

IUPAC Name	3-methylbut-3-en-2-one
INCHI	InChI=1S/C5H8O/c1-4(2)5(3)6/h1H2,2-3H3
InChIKey	ZGHFDIIVVIFNPS-UHFFFAOYSA-N
Smiles	CC(=C)C(=O)C
Isomeric SMILES	CC(=C)C(=O)C
RTECS	EN0175000
UN Number	1246
Packing Group	II
Molecular Weight	84.12
Beilstein	1(4)3462
Reaxy-Rn	1071241
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1071241&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.

12 results found

Lot Number	Certificate Type	Date	Item
H2330501	Certificate of Analysis	Jun 06, 2025	I107938
H2330502	Certificate of Analysis	Jun 06, 2025	I107938
C2503120	Certificate of Analysis	Feb 21, 2025	I107938
C2503121	Certificate of Analysis	Feb 21, 2025	I107938
C2503215	Certificate of Analysis	Feb 21, 2025	I107938
K2224526	Certificate of Analysis	Aug 22, 2024	I107938
K2224486	Certificate of Analysis	Sep 03, 2022	I107938
K2224487	Certificate of Analysis	Sep 03, 2022	I107938
G2325088	Certificate of Analysis	Sep 03, 2022	I107938
I2213206	Certificate of Analysis	Oct 30, 2021	I107938
I2213207	Certificate of Analysis	Oct 30, 2021	I107938
H2223032	Certificate of Analysis	Oct 30, 2021	I107938

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Chemical and Physical Properties

Solubility	Soluble in water (4.7%), ethanol, acetone, and ether.
Sensitivity	light sensitive; heat sensitive
Refractive Index	1.42
Flash Point(°C)	9°C
Boil Point(°C)	100°C
Molecular Weight	84.120 g/mol
XLogP3	0.900
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	84.0575 Da
Monoisotopic Mass	84.0575 Da
Topological Polar Surface Area	17.100 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	81.900
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

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