3-Carene - ≥90%(GC) , CAS No.13466-78-9

CAS: 13466-78-9 Cat. No.: C153246 Formula: C₁₀H₁₆ Molecular Weight: 136.24 EC Number: 236-719-3

GRADE & PURITY ≥90%(GC)

Synonyms

(+/-)-3-CARENE | HY-N6663 | 3-Carene, >=90% | (1S)-(+)-3-Carene | EN300-173315 | 3-Carene | 4,7,7-trimethylbicyclo[4.1.0]hept-3-ene | UNII-H2M15SNR6N | CAS-13466-78-9 | E77192 | EINECS 236-719-3 | Bicyclo[4.1.0]hept-3-ene, 3,7,7-trimethyl- | Delta-3-Caren

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

3-Carene is a volatile monoterpene compound typically found in essential oils such as turpentine oil, juniper oil and pine needle oil. 3-Carene inhibits nociceptive stimulus-induced inflammatory infiltrates and COX-2 overexpression, and with antinociceptive effect. 3-Carene stimulates the activity and expression of alkaline phosphatase that is an early phase marker of osteoblastic differentiation.

Specifications

Synonyms

(+/-)-3-CARENE | HY-N6663 | 3-Carene, >=90% | (1S)-(+)-3-Carene | EN300-173315 | 3-Carene | 4,7,7-trimethylbicyclo[4.1.0]hept-3-ene | UNII-H2M15SNR6N | CAS-13466-78-9 | E77192 | EINECS 236-719-3 | Bicyclo[4.1.0]hept-3-ene, 3,7,7-trimethyl- | Delta-3-Caren

Specifications & Purity

≥90%(GC)

Storage

Argon charged,Room temperature

Shipped In

Normal

Action Type

INHIBITOR

Purity

≥90%(GC)

Names and Identifiers

Pubchem Sid

488182994

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488182994

Canonical Smiles

CC1=CCC2C(C1)C2(C)C

IUPAC Name

3,7,7-trimethylbicyclo[4.1.0]hept-3-ene

InChIKey

BQOFWKZOCNGFEC-UHFFFAOYSA-N

INCHI

1S/C10H16/c1-7-4-5-8-9(6-7)10(8,2)3/h4,8-9H,5-6H2,1-3H3

Isomeric SMILES

CC1=CCC2C(C1)C2(C)C

WGK Germany

2

RTECS

FH8400000

UN Number

2319

Packing Group

III

Molecular Weight

136.24

Reaxy-Rn

8141645

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8141645&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: Bicyclic monoterpenoids
• Alternative Parents: Polycyclic hydrocarbons Branched unsaturated hydrocarbons Cyclic olefins Unsaturated aliphatic hydrocarbons
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Carane monoterpenoid - Bicyclic monoterpenoid - Branched unsaturated hydrocarbon - Polycyclic hydrocarbon - Cyclic olefin - Unsaturated aliphatic hydrocarbon - Unsaturated hydrocarbon - Olefin - Hydrocarbon - Aliphatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as bicyclic monoterpenoids. These are monoterpenoids containing exactly 2 rings, which are fused to each other.
• 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(non-human)

Cutibacterium acnes (887 Activities)

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

Rattus norvegicus (775804 Activities)

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

Leptinotarsa decemlineata (1161 Activities)

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in Ethanol,Acetone,Benzene
• Sensitivity: Air and moisture sensitive
• Refractive Index: 1.472
• Specific Rotation[α]: +15°, neat
• Flash Point(°F): 116.6 °F
• Flash Point(°C): 47 °C
• Boil Point(°C): 168-169°C
• Molecular Weight: 136.230 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• 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: 186.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Frequently Asked Questions

What is the purity of this product, and how is it determined?

This product is supplied at ≥90% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 13466-78-9, the molecular formula is C10H16, and the molecular weight is 136.24 g/mol. InChIKey BQOFWKZOCNGFEC-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.