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127-41-3,MFCD00001565
Catalog No.:AA000WG5

127-41-3 | 3-Buten-2-one, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (3E)-

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Purity
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1g
95%(GC)
in stock  
$24.00   $17.00
- +
5g
90%
in stock  
$36.00   $25.00
- +
25g
90%
in stock  
$58.00   $40.00
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500g
80%
in stock  
$102.00   $71.00
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  • Technical Information
  • Properties
  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA000WG5
Chemical Name:
3-Buten-2-one, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (3E)-
CAS Number:
127-41-3
Molecular Formula:
C13H20O
Molecular Weight:
192.2973
MDL Number:
MFCD00001565
SMILES:
CC(=O)/C=C/C1C(=CCCC1(C)C)C
NSC Number:
34560
FEMA Number:
2594
Properties
Properties
 
BP:
131°C at 760 mmHg  
Form:
Liquid  
MP:
25°C  
Refractive Index:
n20/D 1.498(lit.)  
Solubility:
Soluble in ethanol fixed oils, propylene glycol. Slightly soluble in alcohol, ether, mineral oil.  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
282  
Covalently-Bonded Unit Count:
1  
Defined Bond Stereocenter Count:
1  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
1  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
1  
XLogP3:
3  

Literature

Title: Functional Characterization of the Odorant Receptor 51E2 in Human Melanocytes.

Journal: The Journal of biological chemistry 20160819

Title: Free energy calculations give insight into the stereoselective hydroxylation of α-ionones by engineered cytochrome P450 BM3 mutants.

Journal: Journal of chemical information and modeling 20120827

Title: CYP264B1 from Sorangium cellulosum So ce56: a fascinating norisoprenoid and sesquiterpene hydroxylase.

Journal: Applied microbiology and biotechnology 20120701

Title: Biosynthesis of α- and β-ionone, prominent scent compounds, in flowers of Osmanthus fragrans.

Journal: Acta biochimica Polonica 20120101

Title: A practical chemo-enzymatic approach to highly enantio-enriched 10-ethyl-7,8-dihydro-γ-ionone isomers: a method for the synthesis of 4,5-didehydro-α-ionone.

Journal: International journal of molecular sciences 20120101

Title: Allelopathic control of cyanobacterial blooms by periphyton biofilms.

Journal: Environmental microbiology 20110301

Title: A new sulfated alpha-ionone glycoside from Sonchus erzincanicus Matthews.

Journal: Molecules (Basel, Switzerland) 20100412

Title: Expedient construction of the Ziegler intermediate useful for the synthesis of forskolin via consecutive rearrangements.

Journal: Organic letters 20091203

Title: Syntheses and potential anti-prostate cancer activities of ionone-based chalcones.

Journal: Bioorganic & medicinal chemistry letters 20090215

Title: New attractants for males of the solanaceous fruit fly Bactrocera latifrons.

Journal: Journal of chemical ecology 20081201

Title: Enantioselective synthesis and olfactory evaluation of 13-alkyl-substituted alpha-ionones.

Journal: Chemistry & biodiversity 20080601

Title: Flavor authentication studies of alpha-ionone, beta-ionone, and alpha-ionol from various sources.

Journal: Journal of agricultural and food chemistry 20070808

Title: 4-pyridyl carbonyl and related compounds as thrips lures: effectiveness for onion thrips and new zealand flower thrips in field experiments.

Journal: Journal of agricultural and food chemistry 20070725

Title: Fragrance material review on ionone.

Journal: Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association 20070101

Title: Fragrance material review on alpha-ionone.

Journal: Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association 20070101

Title: Theory and use of the pseudophase model in gas-liquid chromatographic enantiomeric separations.

Journal: Analytical chemistry 20060101

Title: Efficient terpene hydroxylation catalysts based upon P450 enzymes derived from actinomycetes.

Journal: Organic & biomolecular chemistry 20050821

Title: Identification of specific ligands for orphan olfactory receptors. G protein-dependent agonism and antagonism of odorants.

Journal: The Journal of biological chemistry 20050325

Title: Comprehensive authentication of (E)-alpha(beta)-ionone from raspberries, using constant flow MDGC-C/P-IRMS and enantio-MDGC-MS.

Journal: Journal of agricultural and food chemistry 20050223

Title: A simple and efficient highly enantioselective synthesis of alpha-ionone and alpha-damascone.

Journal: The Journal of organic chemistry 20041210

Title: Enantioselective synthesis of alpha-ionone derivatives using an anti S(N)2' substitution of functionalized zinc organometallics.

Journal: Organic letters 20040708

Title: Active ingredients in cade oil that synergize attractiveness of alpha-ionol to male Bactrocera latifrons (Diptera: Tephritidae).

Journal: Journal of economic entomology 20040601

Title: Investigation of binding behavior of alpha- and beta-ionones to beta-lactoglobulin at different pH values using a diffusion-based NOE pumping technique.

Journal: Journal of agricultural and food chemistry 20030326

Title: Induction of cytochrome P450 1A and 2B by alpha- and beta-ionone in Sprague Dawley rats.

Journal: Archives of pharmacal research 20020401

Title: A P450 BM-3 mutant hydroxylates alkanes, cycloalkanes, arenes and heteroarenes.

Journal: Journal of biotechnology 20010615

Title: Enhancement of attraction of alpha-ionol to male Bactrocera latifrons (Diptera: Tephritidae) by addition of a synergist, cade oil.

Journal: Journal of economic entomology 20010201

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SDS
Tags:127-41-3 Molecular Formula|127-41-3 MDL|127-41-3 SMILES|127-41-3 3-Buten-2-one, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (3E)-