Citronellyl Acetate - ≥95%(GC) , CAS No.150-84-5

CAS: 150-84-5 Cat. No.: C153795 Fórmula: C₁₂H₂₂O₂ Peso molecular: 198.31 Número CE: 205-775-0

GRADE & PURITY ≥95%(GC)

Synonyms

Acetic acid, 3,7-dimethyl-6-octen-1-yl ester | Cephreine | (+/-)-Citronellyl acetate | 6-Octen-l-ol, 3,7-dimethyl-, acetate | Citronellyl acetate | 3,7-Dimethyl-6-octen-1-ol acetate | 2-Octen-8-ol, 2,6-dimethyl-, acetate | Citronellyl acetate, >=95%, FCC,

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

Acetic acid, 3,7-dimethyl-6-octen-1-yl ester | Cephreine | (+/-)-Citronellyl acetate | 6-Octen-l-ol, 3,7-dimethyl-, acetate | Citronellyl acetate | 3,7-Dimethyl-6-octen-1-ol acetate | 2-Octen-8-ol, 2,6-dimethyl-, acetate | Citronellyl acetate, >=95%, FCC,

Especificações e pureza

≥95%(GC)

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥95%(GC)

Nomes e identificadores

• Pubchem Sid: 488180924
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180924
• Sorrisos canónicos: CC(CCC=C(C)C)CCOC(=O)C
• IUPAC Name: 3,7-dimethyloct-6-enyl acetate
• InChIKey: JOZKFWLRHCDGJA-UHFFFAOYSA-N
• INCHI: 1S/C12H22O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6,11H,5,7-9H2,1-4H3
• SMILES isoméricas: CC(CCC=C(C)C)CCOC(=O)C
• RTECS: RH3422500
• Peso molecular: 198.31
• Reaxy-Rn: 1723886
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1723886&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: Acyclic monoterpenoids

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)

TRPV1 Tclin Vanilloid receptor (8273 Activities)

Discover Target: TRPV1

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

ALOX15 Tchem Arachidonate 15-lipoxygenase (7108 Activities)

Discover Target: ALOX15

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

Alvos associados (não humanos)

Tetranychus urticae (2600 Activities)

Explore this target

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

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

Mecanismos de ação

Propriedades químicas e físicas

• Índice de refração: 1.44
• Ponto de inflamação (°F): 112°C(lit.)
• Ponto de inflamação (°C): 112°C(lit.)
• Ponto de ebulição (°C): 173 °C/34 mmHg
• Peso molecular: 198.300 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 198.162 Da
• Monoisotopic Mass: 198.162 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 190.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Perguntas frequentes

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 room temperature.

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 150-84-5, the molecular formula is C12H22O2, and the molecular weight is 198.31 g/mol. InChIKey JOZKFWLRHCDGJA-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.