Myrcene - ≥90%(GC) , CAS No.123-35-3

CAS: 123-35-3 Cat. No.: M101322 Formula: C₁₀H₁₆ Molecular Weight: 136.23 Beilstein Registry Number: 1719990 EC Number: 204-622-5

GRADE & PURITY ≥90%(GC)

Synonyms

2-Methyl-6-methylene-2,7-octadiene | b-Myrcene | 3-Methylene-7-methyl-1, 6-octadiene | 7-Methyl-3-methylene-octa-1,6-diene | 7-Methyl-3-methyleneocta-1,6-diene | beta-geraniolene | Myrcene analytical standard | CAS-123-35-3 | FT-0672572 | InChI=1/C10H16/c

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

β-Myrcene is found in oil of bay, verbena and hop and used as an intermediate in the manufacturing of perfume chemicals.
An intermediate in the manufacturing of perfume chemicals.

Specifications

Synonyms

2-Methyl-6-methylene-2,7-octadiene | b-Myrcene | 3-Methylene-7-methyl-1, 6-octadiene | 7-Methyl-3-methylene-octa-1,6-diene | 7-Methyl-3-methyleneocta-1,6-diene | beta-geraniolene | Myrcene analytical standard | CAS-123-35-3 | FT-0672572 | InChI=1/C10H16/c

Specifications & Purity

≥90%(GC)

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥90%(GC)

Names and Identifiers

• Pubchem Sid: 508813687
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/508813687
• Canonical Smiles: CC(=CCCC(=C)C=C)C
• IUPAC Name: 7-methyl-3-methylideneocta-1,6-diene
• InChIKey: UAHWPYUMFXYFJY-UHFFFAOYSA-N
• INCHI: 1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7H,1,4,6,8H2,2-3H3
• Isomeric SMILES: CC(=CCCC(=C)C=C)C
• WGK Germany: 2
• RTECS: RG5365000
• UN Number: 2319
• Packing Group: III
• Molecular Weight: 136.23
• Beilstein: 1719990
• Reaxy-Rn: 1719990
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1719990&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Prenol lipids
      • Subclass Monoterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Prenol lipids
• Subclass: Monoterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Acyclic monoterpenoids
• Alternative Parents: Branched unsaturated hydrocarbons Alkatrienes Unsaturated aliphatic hydrocarbons
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Acyclic monoterpenoid - Branched unsaturated hydrocarbon - Alkatriene - Unsaturated aliphatic hydrocarbon - Unsaturated hydrocarbon - Olefin - Acyclic olefin - Hydrocarbon - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as acyclic monoterpenoids. These are monoterpenes that do not contain a cycle.
• External Descriptors: a monoterpenoid

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

NR3C1 Tclin Glucocorticoid receptor (14987 Activities)

Discover Target: NR3C1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)

Discover Target: TSHR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

NR1H4 Tclin Bile acid receptor FXR (6228 Activities)

Discover Target: NR1H4

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Associated Targets(non-human)

Staphylococcus aureus (210822 Activities)

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Spodoptera littoralis (798 Activities)

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Tetranychus urticae (2600 Activities)

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lef Anthrax lethal factor (7585 Activities)

Discover Target: lef

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Leptinotarsa decemlineata (1161 Activities)

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Psoroptes ovis (78 Activities)

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Tribolium castaneum (596 Activities)

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Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Heat and Air sensitive
• Refractive Index: 1.469
• Flash Point(°F): 111.2 °F
• Flash Point(°C): 44 °C
• Boil Point(°C): 165°C
• Molecular Weight: 136.230 g/mol
• XLogP3: 4.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 4
• Exact Mass: 136.125 Da
• Monoisotopic Mass: 136.125 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 145.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1