(4E)-4-[(2E)-2-Buten-1-ylidene]-3,5,5-trimethyl-2-cyclohexen-1-one

Basic Information

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CAS Number

13215-88-8

Molecular Formula

C13H18O

Molecular Weight

190.29 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Boiling Point

289 ºC

Flash Point

124.8 ºC

Refractive Index

1.539

SMILES

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CC=CC=C1C(=CC(=O)CC1(C)C)C

InChI

InChI=1S/C13H18O/c1-5-6-7-12-10(2)8-11(14)9-13(12,3)4/h5-8H,9H2,1-4H3/b6-5+,12-7-

InChIKey

CBQXHTWJSZXYSK-DFTQQVSXSA-N

LogP

3.4342000000000024

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

327

Synonyms & References

English

2-CYCLOHEXEN-1-ONE, 4-(2E)-2-BUTENYLIDENE-3,5,5-TRIMETHYL-, (4E)-
9XFN7T7VV5
Megastigmatrienone D
Q27273350
MEGASTIGMATRIENONE 4
FEMA NO. 4663, (2E,4E)-
Tabanone
CBQXHTWJSZXYSK-DFTQQVSXSA-N
(4E)-4-[(2E)-BUT-2-EN-1-YLIDENE]-3,5,5-TRIMETHYLCYCLOHEX-2-EN-1-ONE
4-(But-2-en-1-ylidene)-3,5,5-trimethylcyclohex-2-enone
s11013
DTXSID701045121
2-CYCLOHEXEN-1-ONE, 4-(2E)-2-BUTEN-1-YLIDENE-3,5,5-TRIMETHYL-, (4E)-
5164-78-3
MFCD09751414
3,5,5-Trimethyl-4-butenylidene-2-cyclohexen-1-one
13215-88-8
AKOS006327931
2-Cyclohexen-1-one, 4-(2-butenylidene)-3,5,5-trimethyl-, (E,E)-
SCHEMBL756992
(6Z,8E)-4,6,8-megastigmatrien-3-one
Megastigmatrienone
4-(2-Butenylidene)-3,5,5-trimethylcyclohex-2-en-1-one
TABANONE
TABANON
Einecs 236-187-2
4-(But-2-en-1-ylidene)
4,6,8-Megastigmatrien-3-one
Megastigmatrienone (Tabanone)
4-(2-Butenyliden)-3,5,5-trimethylcyclohex-2-en-1-on
4-but-2-enylidene-3,5,5-trimethylcyclohex-2-en-1-one

MDL Number

MFCD09751414

Customs Code

2914299000

FAQ

What regulatory guidelines apply to (4E)-4-[(2E)-2-Buten-1-ylidene]-3,5,5-trimethyl-2-cyclohexen-1-one (CAS: 13215-88-8)?

The compound (4E)-4-[(2E)-2-Buten-1-ylidene]-3,5,5-trimethyl-2-cyclohexen-1-one (CAS: 13215-88-8) is subject to various regulatory guidelines including GHS classification, REACH regulations, and FDA/EPA requirements. It is recommended to consult the current regulatory database for the most up-to-date information on classification, labeling, and storage guidelines. Always ensure compliance with local and international regulations.

Are there alternatives to (4E)-4-[(2E)-2-Buten-1-ylidene]-3,5,5-trimethyl-2-cyclohexen-1-one (CAS: 13215-88-8) in synthesis?

There are a few alternatives to (4E)-4-[(2E)-2-Buten-1-ylidene]-3,5,5-trimethyl-2-cyclohexen-1-one (CAS: 13215-88-8) in synthesis, such as isomers or analogs like (4Z)-4-[(2Z)-2-Buten-1-ylidene]-3,5,5-trimethyl-2-cyclohexen-1-one. Common alternative reagents include other cyclohexenones and related organic compounds. It is important to consider the specific requirements of your synthesis to determine the most suitable alternative.

What is the market or research trend for (4E)-4-[(2E)-2-Buten-1-ylidene]-3,5,5-trimethyl-2-cyclohexen-1-one (CAS: 13215-88-8)?

The market for (4E)-4-[(2E)-2-Buten-1-ylidene]-3,5,5-trimethyl-2-cyclohexen-1-one (CAS: 13215-88-8) is driven by its use in organic synthesis and pharmaceutical applications. Research trends focus on its use as a key intermediate in the synthesis of various compounds. The demand is expected to grow due to its versatile applications in the chemical industry. However, market trends can vary based on global economic conditions and regulatory changes.

How should waste containing (4E)-4-[(2E)-2-Buten-1-ylidene]-3,5,5-trimethyl-2-cyclohexen-1-one (CAS: 13215-88-8) be handled?

Waste containing (4E)-4-[(2E)-2-Buten-1-ylidene]-3,5,5-trimethyl-2-cyclohexen-1-one (CAS: 13215-88-8) should be collected in appropriate containers and stored in a safe, secure location. It is recommended to incinerate or dispose of the waste through professional waste disposal services. Always follow local regulations and environmental protection guidelines to ensure safe and responsible disposal. Personal protective equipment (PPE) should be used during handling and disposal operations.