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β-Ionone

CAT: 0931-T7927-03Size: 1 gDry Ice: NoHazardous: No
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CAT#:0931-T7927-03Size:1 g
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CAS Number
14901-07-6
Target
Apoptosis
Related Pathways
Apoptosis
Purity
0.9852
Bioactivity
β-Ionone (β-lonone) is an end-ring analog of β-carotenoids which widely distributed in fruit and vegetables, with anti-proliferative, anti-metastatic
Smiles
CC(=O)C=CC1=C(C)CCCC1(C)C
Molecular Formula
C13H20O
Molecular Weight
192.3
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

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

Beta-ionone is a colorless to light yellow liquid with an odor of cedar wood. In very dilute alcoholic solution the odor resembles odor of violets. Used in perfumery.

CAS Number14901-07-6
PubChem CID26955
IUPAC Name4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-one
Molecular FormulaC13H20O
Molecular Weight192.30
XLogP2.9
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count14
Formal Charge0
Complexity292
SMILES
CC1=C(C(CCC1)(C)C)C=CC(=O)C
InChI
InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8H,5-6,9H2,1-4H3
InChIKey
PSQYTAPXSHCGMF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-3-buten-2-one
CAS: 14901-07-6
CID: 26955
Formula: C13H20O
MW: 192.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight192.30
XLogP32.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass192.151415257
Monoisotopic Mass192.151415257
Topological Polar Surface Area17.1 Ų
Heavy Atom Count14
Formal Charge0
Complexity292
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count1
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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AAA07977-01β-Ionone
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sc-239157α-Ionone
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HY-W243244-01β-Ionone acid
TRC-I731280-25Gb-Ionone
AR-I03744-01Beta-Ionone
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HY-W015084R-01β-Ionone (Standard)

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