Geranyl butyrate - ≥95%, mixture of isomers , CAS No.106-29-6

CAS: 106-29-6 Cat. No.: G165698 Summenformel: C₁₄H₂₄O₂ Molekulargewicht: 224.34 EG-Nummer: 203-381-3

GRADE & PURITY ≥95%, mixture of isomers

Synonyms

trans-3,7-Dimethyl-2,6-octadien-1-yl butyrate | A801412 | LS-14345 | (2E)-3,7-Dimethyl-2,6-octadienyl butyrate # | 3,7-Dimethyl-2,6-octadienyl Butyrate | GERANYL BUTYRATE [FHFI] | J-001564 | 69AVH8L7KL | EINECS 203-381-3 | LMFA07010616 | [(2E)-3,7-dimethy

Storage

Room temperature

Shipped In

Normal

Übersicht

Geranyl butyrate is one of the key esters that may be contributing to the characteristic flavor of jamun fruit. It also occurs in tomato juice and tomato-based dried products.

Specifications

Synonyme

trans-3,7-Dimethyl-2,6-octadien-1-yl butyrate | A801412 | LS-14345 | (2E)-3,7-Dimethyl-2,6-octadienyl butyrate # | 3,7-Dimethyl-2,6-octadienyl Butyrate | GERANYL BUTYRATE [FHFI] | J-001564 | 69AVH8L7KL | EINECS 203-381-3 | LMFA07010616 | [(2E)-3,7-dimethy

Spezifikationen & Reinheit

≥95%, mixture of isomers

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥95%

Namen und Kennungen

Pubchem Sid

488195411

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488195411

Kanonisches Lächeln

CCCC(=O)OCC=C(C)CCC=C(C)C

IUPAC Name

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

InChIKey

ZSBOMYJPSRFZAL-JLHYYAGUSA-N

INCHI

1S/C14H24O2/c1-5-7-14(15)16-11-10-13(4)9-6-8-12(2)3/h8,10H,5-7,9,11H2,1-4H3/b13-10+

Isomere SMILES

CCCC(=O)OC/C=C(\C)/CCC=C(C)C

Molekulargewicht

224.34

Reaxy-Rn

11143591

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11143591&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Klasse: Fatty Acyls
• Subclass: Fatty alcohol esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty alcohol esters
• Alternative Parents: Acyclic monoterpenoids Fatty acid esters 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 - Fatty acid ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 224.340 g/mol
• XLogP3: 4.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 8
• Exact Mass: 224.178 Da
• Monoisotopic Mass: 224.178 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 258.000
• 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

Häufig gestellte Fragen

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 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 106-29-6, the molecular formula is C14H24O2, and the molecular weight is 224.34 g/mol. InChIKey ZSBOMYJPSRFZAL-JLHYYAGUSA-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.