Sigma-Aldrich cis-3-Hexenyl butyrate, natural, ≥95%, FG

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Linear Formula:
CH3CH2CH2CO2CH2CH2CH=CHC2H5
CAS Number: 16491-36-4

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Specifications:
Storage Temperature Ambient
Product Type Laboratory Chemical Forms Powder
Product Brand Sigma-Aldrich
Product Grade Industrial Grade

cis-3-Hexenyl Butyrate is a natural flavor and fragrance compound with a fresh, green, fruity, and sweet aroma profile. This compound is widely used in food, beverages, and perfumery applications due to its organoleptic properties and compliance with global safety standards.

Key Features:

  1. Chemical and Physical Properties:
    • Linear Formula: CH₃CO₂CH₂CH₂CH=CHC₂H₅
    • Molecular Weight: 142.20 g/mol
    • CAS Number: 3681-71-8
    • Refractive Index: n20/D 1.427 (lit.)
    • Boiling Point: 75–76 °C at 23 mmHg (lit.)
    • Density: 0.897 g/mL at 25 °C (lit.)
  2. Purity and Grade:
    • Assay: ≥95%
    • Grade: Fragrance Grade (FG), natural.
  3. Compliance and Certifications:
    • Regulatory Compliance:
      • EU Regulation 1223/2009, 1334/2008 & 178/2002.
      • FDA 21 CFR 117.
    • Certifications:
      • Halal and Kosher certified.
      • Follows IFRA guidelines.
  4. Organoleptic Properties:
    • Aroma: Fresh, green, fruity, sweet.
    • Applications: Used in flavors and fragrances.
  5. Safety Profile:
    • No known food or fragrance allergens.

Applications:

  1. Flavoring Agent:
    • Adds fresh, fruity, and sweet notes to food and beverages.
    • Enhances the aroma complexity in products such as olive oil and strawberries.
  2. Fragrance Industry:
    • Used in perfumes to create green and fruity fragrance profiles.
    • Adds citrus and passion fruit aroma to enhance product appeal.
  3. Beverages:
    • Used as a flavoring agent in alcoholic drinks and other beverages.

Organoleptic Profile:

  • Fresh: Provides a clean, green aroma.
  • Green: Adds a vegetal and leafy scent.
  • Fruity: Contributes to citrus-like and sweet fruity notes.
  • Sweet: Complements other components in complex aromas.

Chemical Identifiers:

AttributeDetails
SMILES String[H]\C(CC)=C(/[H])CCOC(C)=O
InChI1S/C8H14O2/c1-3-4-5-6-7-10-8(2)9/h4-5H,3,6-7H2,1-2H3/b5-4-
InChI KeyNPFVOOAXDOBMCE-PLNGDYQASA-N
PubChem Substance ID329830572

Specifications:

AttributeValue
GradeFragrance Grade, Natural
Purity≥95%
Density0.897 g/mL at 25 °C
Boiling Point75–76 °C (at 23 mmHg)
Refractive Indexn20/D 1.427

Compliance and Quality:

  • Agency Compliance: Follows IFRA guidelines and FDA standards.
  • Quality Level: Rated at 400, ensuring high reliability.

Applications in Research:

  1. Food Chemistry:
    • Demonstrated role in strawberry aroma and olive oil flavor complexity.
  2. Perfume Development:
    • Incorporated for its leafy and fresh notes in modern fragrances.

Storage and Handling:

  • Store in a cool, dry place, away from direct sunlight or heat sources to maintain stability.

  • Pack Size:   1kg 100g
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