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b-Myrcene (>90%)

CAT: 0572-TRC-M875300-5GSize: 5 gDry Ice: NoHazardous: Yes
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CAT#:0572-TRC-M875300-5GSize:5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
123-35-3
Synonyms
1,6-Octadiene, 7-methyl-3-methylene-; 7-Methyl-3-methylene-1,6-octadiene; 2-Methyl-6-methylene-2,7-octadiene; 3-Methylene-7-methyl-1,6-octadiene; Myrcene; NSC 406264; beta-Myrcene; ÃŽ²-Geraniolene; ÃŽ²-Myrcene
Hazard Statement
Flammable liquid and vapour; UN number: UN2319; Packing Group: III
Smiles
CC(=CCCC(=C)C=C)C
Molecular Formula
C10 H16
Molecular Weight
136.23
InChI
InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7H,1,4,6,8H2,2-3H3
Additionnal Information
IUPAC name: 7-methyl-3-methylideneocta-1,6-diene
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Myrcene

beta-Myrcene can cause cancer according to The National Toxicology Program.

CAS Number123-35-3
PubChem CID31253
IUPAC Name7-methyl-3-methylideneocta-1,6-diene
Molecular FormulaC10H16
Molecular Weight136.23
XLogP4.3
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count4
Heavy Atom Count10
Formal Charge0
Complexity145
SMILES
CC(=CCCC(=C)C=C)C
InChI
InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7H,1,4,6,8H2,2-3H3
InChIKey
UAHWPYUMFXYFJY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Myrcene
CAS: 123-35-3
CID: 31253
Formula: C10H16
MW: 136.23
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight136.23
XLogP34.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count4
Exact Mass136.125200510
Monoisotopic Mass136.125200510
Topological Polar Surface Area0 Ų
Heavy Atom Count10
Formal Charge0
Complexity145
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