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β-Phellandrene

CAT: 0931-T5621Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T5621Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
555-10-2
Target
Others, Antibacterial
Related Pathways
Microbiology/Virology, Others
Purity
0.9997
Bioactivity
β-Phellandrene (p-mentha-1 (7),2-diene) is found in allspice. beta-Phellandrene is widely distributed in essential oils
Smiles
CC(C)C1CCC(=C)C=C1
Molecular Formula
C10H16
Molecular Weight
136.23
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Beta-Phellandrene

Beta-phellandrene is one of a pair of phellandrene cyclic monoterpene double-bond isomers in which one double bond is exocyclic (cf. alpha-phellandrene, where both of them are endoocyclic). It has a role as a plant metabolite.

CAS Number555-10-2
PubChem CID11142
IUPAC Name3-methylidene-6-propan-2-ylcyclohexene
Molecular FormulaC10H16
Molecular Weight136.23
XLogP3.4
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count1
Heavy Atom Count10
Formal Charge0
Complexity151
SMILES
CC(C)C1CCC(=C)C=C1
InChI
InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,6,8,10H,3,5,7H2,1-2H3
InChIKey
LFJQCDVYDGGFCH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Beta-Phellandrene
CAS: 555-10-2
CID: 11142
Formula: C10H16
MW: 136.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight136.23
XLogP33.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count1
Exact Mass136.125200510
Monoisotopic Mass136.125200510
Topological Polar Surface Area0 Ų
Heavy Atom Count10
Formal Charge0
Complexity151
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

Alternative Products

CatalogName
FP161129-01α-Phellandrene
464838β-Phellandrene
469749-01β-Phellandrene
OR1023659-01(-) -a-Phellandrene
AR-T04547-01A-Phellandrene
EAA22198-01(R) -±-Phellandrene
TRC-P294560-1GBeta-Phellandrene
HY-N8573Sβ-Phellandrene-d2
TRC-P294570-2.5ML(R)-a-Phellandrene
469469-01α-Phellandrene-D3

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