γ-Terpinene - ≥95%(GC) , CAS No.99-85-4

CAS: 99-85-4 Cat. No.: G156812 Formula: C₁₀H₁₆ Molecular Weight: 136.24 Beilstein Registry Number: 5128 EC Number: 202-794-6

GRADE & PURITY ≥95%(GC)

Synonyms

.gamma.-Terpinen | EINECS 202-794-6 | BS-23574 | gamma-Terpinene, analytical standard | HY-W020183 | 1-methyl-4-propan-2-ylcyclohexa-1,4-diene | InChI=1/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,7-8H,5-6H2,1-3H | 1-Methyl-4-isopropyl-1,4-cyclohexadiene | gamma-T

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

γ-Terpinene is a monoterpene hydrocarbon present in essential oils extracted from Thymus vulgaris L., and exhibits antimicrobial, carminative and expectorant activities.

Specifications

Synonyms

.gamma.-Terpinen | EINECS 202-794-6 | BS-23574 | gamma-Terpinene, analytical standard | HY-W020183 | 1-methyl-4-propan-2-ylcyclohexa-1,4-diene | InChI=1/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,7-8H,5-6H2,1-3H | 1-Methyl-4-isopropyl-1,4-cyclohexadiene | gamma-T

Specifications & Purity

≥95%(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.

Action Type

INHIBITOR

Purity

≥95%(GC)

Names and Identifiers

Pubchem Sid

504751351

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504751351

Canonical Smiles

CC1=CCC(=CC1)C(C)C

IUPAC Name

1-methyl-4-propan-2-ylcyclohexa-1,4-diene

InChIKey

YKFLAYDHMOASIY-UHFFFAOYSA-N

INCHI

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

Isomeric SMILES

CC1=CCC(=CC1)C(C)C

WGK Germany

2

RTECS

OS8070000

Molecular Weight

136.24

Beilstein

5128

Reaxy-Rn

2038347

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2038347&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Hydrocarbons
    • Class Unsaturated hydrocarbons
      • Subclass Branched unsaturated hydrocarbons

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• Class: Unsaturated hydrocarbons
• Subclass: Branched unsaturated hydrocarbons
• Intermediate Tree Nodes: Not available
• Direct Parent: Branched unsaturated hydrocarbons
• Alternative Parents: Cyclic olefins Unsaturated aliphatic hydrocarbons
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Branched unsaturated hydrocarbon - Cyclic olefin - Unsaturated aliphatic hydrocarbon - Olefin - Aliphatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as branched unsaturated hydrocarbons. These are hydrocarbons that contains one or more unsaturated carbon atoms, and an aliphatic branch.
• 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)

ACHE Tclin Acetylcholinesterase (18204 Activities)

Discover Target: ACHE

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

Associated Targets(non-human)

Pseudomonas aeruginosa (123386 Activities)

Explore this target

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

Staphylococcus aureus (210822 Activities)

Explore this target

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

Klebsiella aerogenes (4963 Activities)

Explore this target

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

Escherichia coli (133304 Activities)

Explore this target

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

Streptococcus mutans (2687 Activities)

Explore this target

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

Aspergillus flavus (8875 Activities)

Explore this target

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

Bacillus subtilis (32866 Activities)

Explore this target

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

Cyberlindnera jadinii (900 Activities)

Explore this target

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

Saccharomyces cerevisiae (19171 Activities)

Explore this target

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

Corynebacterium ammoniagenes (75 Activities)

Explore this target

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

Cutibacterium acnes (887 Activities)

Explore this target

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

Penicillium chrysogenum (1593 Activities)

Explore this target

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

Leptinotarsa decemlineata (1161 Activities)

Explore this target

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

Malassezia furfur (70 Activities)

Explore this target

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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Moisture sensitive;Air sensitive
• x_refractive_index: n20/D1.4720 to 1.475
• x_flash_point_drop_fahrenheit: 122 °F
• x_flash_point_drop_centigrade: 56°C(lit.)
• x_boil_point_char: 183°C(lit.)
• Molecular Weight: 136.230 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• 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: 170.000
• 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

Frequently Asked Questions

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

This product is supplied at ≥95% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 99-85-4, the molecular formula is C10H16, and the molecular weight is 136.24 g/mol. InChIKey YKFLAYDHMOASIY-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.