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α-Cetone

CAT: 0804-HY-W127740-01Size: 5 gDry Ice: NoHazardous: No
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CAT#:0804-HY-W127740-01Size:5 g
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Description
Isonaline 70 is an industrial solvent that belongs to the family of high flash point aromatic naphtha solvents. It is commonly used in a variety of industries including paints and coatings, adhesives and rubber manufacturing, as a thinner and thinner for resins and polymers. Isonaline 70 has various properties that make it suitable for these applications, including its low viscosity, high solvency and good compatibility with other materials. In addition, it can also be used as a cleaning agent for mechanical equipment.
CAS Number
127-51-5
Product Name Alternative
Isomethyl-α-ionone; α-Isomethylionone
UNSPSC
12352200
Hazard Statement
H411
Target
Biochemical Assay Reagents
Type
Biochemical Assay Reagents
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/α-cetone.html
Purity
65.85
Solubility
DMSO : 200 mg/mL (ultrasonic)
Smiles
CC1=CCCC(C)(C)C1C=C(C)C(=O)C
Molecular Formula
C14H22O
Molecular Weight
206.32
Precautions
H411
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Biochemical Assay Reagents
Clinical Information
No Development Reported

Chemical Information

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 a sesquiterpenoid.

CAS Number127-51-5
PubChem CID5372174
IUPAC Name(E)-3-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one
Molecular FormulaC14H22O
Molecular Weight206.32
XLogP3.3
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count15
Formal Charge0
Complexity318
SMILES
CC1=CCCC(C1/C=C(\C)/C(=O)C)(C)C
InChI
InChI=1S/C14H22O/c1-10-7-6-8-14(4,5)13(10)9-11(2)12(3)15/h7,9,13H,6,8H2,1-5H3/b11-9+
InChIKey
JRJBVWJSTHECJK-PKNBQFBNSA-N
Chemical Structure
2D Structure
2D structure of 3-Methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one
CAS: 127-51-5
CID: 5372174
Formula: C14H22O
MW: 206.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight206.32
XLogP33.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass206.167065321
Monoisotopic Mass206.167065321
Topological Polar Surface Area17.1 Ų
Heavy Atom Count15
Formal Charge0
Complexity318
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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