4,4-Dimethyl tert-1-en-3-one

About 4,4-Dimethyl tert-1-en-3-one

4,4-Dimethyl tert-1-en-3-one is a carbonyl building block carrying the CAS registry number 2177-30-2. Its molecular formula is C7H12O and its molecular weight is 112.17 g/mol. Its systematic (IUPAC) name is 4,4-dimethylpent-1-en-3-one. It is also known as 4,4-Dimethyl-1-penten-3-one or 1-Penten-3-one, 4,4-dimethyl-.

Keep the container tightly sealed and store it in a cool, dry area. Under GHS it is labelled “Danger”, so handle it with suitable PPE and consult the SDS.

It is commonly used for organic synthesis, condensation and reductive amination and API intermediates. It is used across pharmaceutical manufacturing and academic and industrial research.

Standard pack sizes are 100 mg, 250 mg, 1 g and 5 g, and every batch ships with a Certificate of Analysis (COA) and we export worldwide. SDS and detailed specification sheets can be requested with your quotation.

Typical applications

Organic synthesis
Condensation & reductive amination
API intermediates

Industries

Specifications & identifiers

Chemical identifiers
Product name	4,4-Dimethyl tert-1-en-3-one
Catalogue No.	VQ-052241
CAS Number	2177-30-2
IUPAC name	4,4-dimethylpent-1-en-3-one
Molecular formula	C₇H₁₂O
Molecular weight	112.17 g/mol
Exact mass	112.0888
InChIKey	MUOKXXOKLLKNIE-UHFFFAOYSA-N
SMILES	CC(C)(C)C(=O)C=C
PubChem CID	3014080

Physical properties
Physical form	Other
LogP (XLogP3)	1.9
H-bond donors / acceptors	0 / 1
TPSA	17.1 Å²
Synonyms	4,4-Dimethyl-1-penten-3-one, 1-Penten-3-one, 4,4-dimethyl-, 4,4-dimethyl-pent-1-en-3-one, t-butyl vinyl ketone, 2,2-dimethylpent-4-en-3-one

Safety & hazard information (GHS)

Flammable

Corrosive

Toxic

Signal word: Danger

Hazard statements

H225Highly flammable liquid and vapor
H301Toxic if swallowed
H311Toxic in contact with skin
H314Causes severe skin burns and eye damage
H331Toxic if inhaled
H412Harmful to aquatic life with long lasting effects

Precautionary statements: P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P270, P271, P273, P280, P301 + P316, P301 + P330 + P331, P302 + P352, P302 + P361 + P354, P303 + P361 + P353, P304 + P340, P305 + P354 + P338, P316, P321, P330

Classification is indicative (aggregated GHS notifications) and may vary by grade and concentration. Always refer to the SDS supplied with your lot.

Documents

Safety Data Sheet (SDS)16-section GHS · on request Certificate of AnalysisTypical / batch COA · on request Specification sheetTDS / MOA · on request

Frequently asked questions

What is the CAS number of 4,4-Dimethyl tert-1-en-3-one?

The CAS Registry Number of 4,4-Dimethyl tert-1-en-3-one is 2177-30-2. It is also known as 4,4-Dimethyl-1-penten-3-one, 1-Penten-3-one, 4,4-dimethyl-, 4,4-dimethyl-pent-1-en-3-one.

What is the molecular formula and molecular weight of 4,4-Dimethyl tert-1-en-3-one?

4,4-Dimethyl tert-1-en-3-one has the molecular formula C7H12O and a molecular weight of 112.17 g/mol. Its IUPAC name is 4,4-dimethylpent-1-en-3-one.

Which grade and pack sizes of 4,4-Dimethyl tert-1-en-3-one can I order?

We supply 4,4-Dimethyl tert-1-en-3-one, in 100 mg, 250 mg, 1 g, 5 g packs. Larger bulk quantities and custom packing are quoted on request.

Do you provide a COA and SDS with 4,4-Dimethyl tert-1-en-3-one?

Yes. Every lot of 4,4-Dimethyl tert-1-en-3-one is shipped with a batch-specific Certificate of Analysis, and a 16-section GHS Safety Data Sheet is provided with the quotation and the shipment.

Can 4,4-Dimethyl tert-1-en-3-one be shipped internationally?

Yes. 4,4-Dimethyl tert-1-en-3-one is classified as hazardous, so it is packed in UN-approved packaging and shipped as dangerous goods under IATA/IMDG rules. We export worldwide on EXW, FOB, CIF and DAP terms.