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Aldehydes & Ketones

3-Methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one

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Order 3-Methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one (CAS 127-51-5) online at Zemixal. Request a quote with price, lead time and documents.

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3-Methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one chemical structure
CAS number127-51-5
FormulaC14H22O
Molar mass206.32 g/mol
InChIKeyJRJBVWJSTHECJK-PKNBQFBNSA-N
IUPAC name(E)-3-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one

About 3-Methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one

3-Methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one sits in our aldehydes & Ketones section and ships worldwide from stock or short lead time. For your records, the material is defined by CAS 127-51-5, formula C14H22O and molar mass 206.32 g/mol.

Use cases we see most often

  • Organic synthesis
  • Condensation & reductive amination
  • API intermediates
  • Fine chemical synthesis

Safe handling

Classified under GHS with signal word Warning and hazard statements H315, H317, H319 and H411. Read the SDS before first use.

Standard pack sizes are 100 mg, 250 mg, 1 g and 5 g, and custom quantities are quoted on request. Every shipment includes a batch certificate of analysis and a 16-section SDS. Send an enquiry through the quote panel and you get a formal offer with Incoterms and delivery time.

Typical uses

  • Organic synthesis
  • Condensation & reductive amination
  • API intermediates
  • Fine chemical synthesis

Applications

Pharmaceutical Manufacturing and QCResearch Labs and Universities

Specifications and identifiers

Specifications of 3-Methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one
Product name3-Methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one
Catalogue numberZX-046120
CAS number127-51-5
IUPAC name(E)-3-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one
Molecular formulaC14H22O
Molar mass206.32 g/mol
Exact mass206.1671
XLogP33.3
H-bond donors / acceptors0 / 1
Topological polar surface area17.1 Ų
InChIKeyJRJBVWJSTHECJK-PKNBQFBNSA-N
SMILESCC1=CCCC(C1/C=C(\C)/C(=O)C)(C)C
PubChem CID5372174
Synonyms(3E)-3-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one, Alpha-isomethylionone, Cetone alpha, Isomethyl-alpha-ionone, Isonaline 70, alpha-isomethyl ionone, 3-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one, Isomethylionone, alpha-, alpha-iso-Methylionone, .alpha.-Cetone, a-iso-Methylionone

Lot values are stated on the batch certificate of analysis. Ask for a typical COA with your quotation.

Safety and GHS hazards

GHS07 Irritant or harmful
Irritant or harmful
GHS09 Hazardous to the environment
Hazardous to the environment

Signal word Warning

  • H315Causes skin irritation
  • H317May cause an allergic skin reaction
  • H319Causes serious eye irritation
  • H411Toxic to aquatic life with long lasting effects
  • H412Harmful to aquatic life with long lasting effects

Precautionary statements P261, P264, P264 + P265, P272, P273, P280, P302 + P352, P305 + P351 + P338, P321, P332 + P317, P333 + P317, P337 + P317, P362 + P364, P391, P501

Classification summarised from public GHS notifications. It can vary with grade and concentration, so always follow the SDS supplied with your lot.

Pack sizes

Pack sizes of 3-Methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one
100 mgQuoted on request
250 mgQuoted on request
1 gQuoted on request
5 gQuoted on request

Need a different size? Bulk drums and custom packing are quoted on request through the quote form on this page.

Questions about 3-Methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one

Which CAS number identifies 3-Methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one?
3-Methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one is registered under CAS 127-51-5. You may also see it listed as (3E)-3-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one, Alpha-isomethylionone, Cetone alpha. Our catalogue number for this item is ZX-046120.
What are the formula and molar mass of 3-Methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one?
For 3-Methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one, its formula is C14H22O and its molar mass is 206.32 g/mol. The systematic (IUPAC) name is (E)-3-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one. InChIKey JRJBVWJSTHECJK-PKNBQFBNSA-N lets you match it in any structure database.
What grade and pack sizes are available for 3-Methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one?
The grade and assay are confirmed on the quotation and the batch COA. Standard packs are 100 mg, 250 mg, 1 g, 5 g. Larger quantities and custom packing can be quoted on request.
Which documents come with 3-Methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one?
Each lot ships with a batch certificate of analysis and a 16-section GHS safety data sheet. A typical COA or specification sheet can be shared with the quotation before you order.
Can Zemixal ship 3-Methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one to my country?
Yes. Because 3-Methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one is classed as hazardous, it travels in UN-approved packaging as dangerous goods under IATA or IMDG rules, with the export paperwork your broker needs.

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