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4-Isopropyl-2-methylphenol

CAT: 0931-T207075-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T207075-01Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1740-97-2
Target
Others
Related Pathways
Others
Purity
0.9659
Bioactivity
4-Isopropyl-2-methylphenol is a natural phenolic organic product commonly found in the essential oils extracted from various aromatic plants and spices. 4-Isopropyl-2-methylphenolis a structural isomer of the well-known compound thymol and serves multiple functions as a flavoring agent, a broad-spectrum antimicrobial agent, and a pharmacological activator of certain transient receptor potential (TRP) ion channels.
Smiles
OC1=CC=C(C=C1C)C(C)C
Molecular Formula
C10H14O
Molecular Weight
150.22
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Isocarvacrol

4-isopropyl-O-cresol has been reported in Lippia origanoides, Lippia graveolens, and Baccharis dracunculifolia with data available.

CAS Number1740-97-2
PubChem CID74446
IUPAC Name2-methyl-4-propan-2-ylphenol
Molecular FormulaC10H14O
Molecular Weight150.22
XLogP3.1
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity120
SMILES
CC1=C(C=CC(=C1)C(C)C)O
InChI
InChI=1S/C10H14O/c1-7(2)9-4-5-10(11)8(3)6-9/h4-7,11H,1-3H3
InChIKey
WYXXLXHHWYNKJF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Isocarvacrol
CAS: 1740-97-2
CID: 74446
Formula: C10H14O
MW: 150.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight150.22
XLogP33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass150.104465066
Monoisotopic Mass150.104465066
Topological Polar Surface Area20.2 Ų
Heavy Atom Count11
Formal Charge0
Complexity120
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
RG-A260413-012-Isopropyl-4-Methylphenol
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sc-2325454-Chloro-2-isopropyl-5-methylphenol
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