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α-Phellandrene

CAT: 0926-FP161129-01Size: 0.25 kgDry Ice: NoHazardous: No
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CAT#:0926-FP161129-01Size:0.25 kg
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CAS Number
99-83-2
Synonyms
2-Methyl-5- (1-methylethyl) -1,3-cyclohexadiene
MDL Number
MFCD00040419
Smiles
CC1=CCC (C=C1) C (C) C
Molecular Formula
C10H16
Molecular Weight
136.23 g/mol
Controlled
No

Chemical Information

alpha-PHELLANDRENE

Alpha-phellandrene is one of a pair of phellandrene cyclic monoterpene double-bond isomers in which both double bonds are endocyclic (cf. alpha-phellandrene, where one of them is exocyclic). It has a role as a volatile oil component, an antimicrobial agent and a plant metabolite. It is a cyclohexadiene and a phellandrene.

CAS Number99-83-2
PubChem CID7460
IUPAC Name2-methyl-5-propan-2-ylcyclohexa-1,3-diene
Molecular FormulaC10H16
Molecular Weight136.23
XLogP3.2
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count1
Heavy Atom Count10
Formal Charge0
Complexity161
SMILES
CC1=CCC(C=C1)C(C)C
InChI
InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4-6,8,10H,7H2,1-3H3
InChIKey
OGLDWXZKYODSOB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of alpha-PHELLANDRENE
CAS: 99-83-2
CID: 7460
Formula: C10H16
MW: 136.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight136.23
XLogP33.2
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
Complexity161
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
HY-121615-01α-Phellandrene
464838β-Phellandrene
469749-01β-Phellandrene
OR1023659-01(-) -a-Phellandrene
AR-T04547-01A-Phellandrene
TRC-P294560-1GBeta-Phellandrene
HY-N8573Sβ-Phellandrene-d2
TRC-P294570-2.5ML(R)-a-Phellandrene
469469-01α-Phellandrene-D3
sc-250855A(R) - (-) -α-Phellandrene

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