Geranyl acetate - 10mM in DMSO , CAS No.105-87-3

CAS: 105-87-3 Cat. No.: G420483 Formule: C₁₂H₂₀O₂ Poids moléculaire: 196.29 Numéro CE: 203-341-5

QUALITÉ & PURETÉ 10mM in DMSO

Synonyms

2, 3,7-dimethyl-, acetate,(E)- | 3,7-dimethyl-2-trans,6-octadienyl acetate | CHEBI:88568 | Geranyl acetate A | (2E)-geranyl acetate | 1-Octanol, 3,7-dimethyl-, acetate, tetradehydro deriv. | CAS-105-87-3 | G0028 | MLS002152904 | 3,7-Dimethyloctyl acetate,

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Spécifications

Synonymes

2, 3,7-dimethyl-, acetate,(E)- | 3,7-dimethyl-2-trans,6-octadienyl acetate | CHEBI:88568 | Geranyl acetate A | (2E)-geranyl acetate | 1-Octanol, 3,7-dimethyl-, acetate, tetradehydro deriv. | CAS-105-87-3 | G0028 | MLS002152904 | 3,7-Dimethyloctyl acetate,

Spécifications et pureté

10mM in DMSO

Conditions de stockage de stockage

Store at -80°C

Expédié en

Dry ice packs + Cold packs

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Type d'action

ACTIVATOR

Noms et identifiants

Pubchem Sid

528769508

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528769508

Sourires canoniques

CC(=CCCC(=CCOC(=O)C)C)C

IUPAC Name

[(2E)-3,7-dimethylocta-2,6-dienyl] acetate

InChIKey

HIGQPQRQIQDZMP-DHZHZOJOSA-N

INCHI

1S/C12H20O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6,8H,5,7,9H2,1-4H3/b11-8+

Isomères SMILES

CC(=CCC/C(=C/COC(=O)C)/C)C

WGK Allemagne

1

RTECS

RG5920000

Poids moléculaire

196.29

Reaxy-Rn

8406666

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8406666&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Classe Fatty Acyls
      • Subclass Fatty alcohol esters

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Fatty Acyls
• Subclass: Fatty alcohol esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty alcohol esters
• Alternative Parents: Acyclic monoterpenoids Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty alcohol ester - Monoterpenoid - Acyclic monoterpenoid - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as fatty alcohol esters. These are ester derivatives of a fatty alcohol.
• External Descriptors: Wax monoesters

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

Cibles associées (humaines)

AR Tclin Androgen Receptor (11781 Activities)

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PTH1R Tclin Parathyroid hormone receptor (47172 Activities)

Discover Target: PTH1R

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TRPV1 Tclin Vanilloid receptor (8273 Activities)

Discover Target: TRPV1

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ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

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NR1H4 Tclin Bile acid receptor FXR (6228 Activities)

Discover Target: NR1H4

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ALOX15 Tchem Arachidonate 15-lipoxygenase (7108 Activities)

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Lymphoblastoid cell (5959 Activities)

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

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Cibles associées (non humaines)

Plasmodium falciparum (966862 Activities)

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Tetranychus urticae (2600 Activities)

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Trpa1 Transient receptor potential cation channel subfamily A member 1 (1003 Activities)

Discover Target: Trpa1

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Trpm8 Transient receptor potential cation channel subfamily M member 8 (889 Activities)

Discover Target: Trpm8

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Bursaphelenchus xylophilus (372 Activities)

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Leptinotarsa decemlineata (1161 Activities)

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Tribolium castaneum (596 Activities)

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Mécanismes d'action

Propriétés chimiques et physiques

• Indice de réfraction: 1.461
• Point d'éclair (°F): 219.2 °F
• Point d'éclair (°C): 104 °C
• Point d'ébullition (°C): 138°C
• Poids moléculaire: 196.290 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 196.146 Da
• Monoisotopic Mass: 196.146 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 233.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1