Geranyl acetate - ≥95% , CAS No.105-87-3

CAS: 105-87-3 Cat. No.: G107620 Fórmula: C₁₂H₂₀O₂ Peso molecular: 196.29 Número CE: 203-341-5

GRADE & PURITY ≥95%

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 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

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,

Especificações e pureza

≥95%

Condições de armazenamento de armazenamento

Store at 2-8°C

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥95%

Nomes e identificadores

Pubchem Sid

504760583

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504760583

Sorrisos canónicos

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+

SMILES isoméricas

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

WGK Alemanha

1

RTECS

RG5920000

Peso molecular

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
• Descrição: 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

Alvos associados (humanos)

AR Tclin Androgen Receptor (11781 Activities)

Discover Target: AR

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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)

Discover Target: ALOX15

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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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Alvos associados (não humanos)

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

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

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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Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Not miscible or difficult to mix in water.
• Índice de refração: 1.461
• Ponto de inflamação (°F): 219.2 °F
• Ponto de inflamação (°C): 104 °C
• Ponto de ebulição (°C): 138°C
• Peso molecular: 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

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

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 105-87-3, the molecular formula is C12H20O2, and the molecular weight is 196.29 g/mol. InChIKey HIGQPQRQIQDZMP-DHZHZOJOSA-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.