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Carvone

CAT: 0572-TRC-C184195-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-C184195-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
99-49-0
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
CC(=C)C1CC=C(C)C(=O)C1
Molecular Formula
C10 H14 O
Molecular Weight
150.22
InChI
InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9H,1,5-6H2,2-3H3
Additionnal Information
IUPAC name: 2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Carvone, (+-)-

Carvone is a p-menthane monoterpenoid that consists of cyclohex-2-enone having methyl and isopropenyl substituents at positions 2 and 5, respectively. It has a role as an allergen. It is a member of carvones and a botanical anti-fungal agent.

CAS Number99-49-0
PubChem CID7439
IUPAC Name2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one
Molecular FormulaC10H14O
Molecular Weight150.22
XLogP2.4
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity223
SMILES
CC1=CCC(CC1=O)C(=C)C
InChI
InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9H,1,5-6H2,2-3H3
InChIKey
ULDHMXUKGWMISQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Carvone, (+-)-
CAS: 99-49-0
CID: 7439
Formula: C10H14O
MW: 150.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight150.22
XLogP32.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass150.104465066
Monoisotopic Mass150.104465066
Topological Polar Surface Area17.1 Ų
Heavy Atom Count11
Formal Charge0
Complexity223
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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