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5-METHYL-2-PHENYL-2-HEXENAL

Technical Data Sheet
BRI Product Number: 856
BRI Product Name: 5-METHYL-2-PHENYL-2-HEXENAL
CAS Number: 21834-92-4
FEMA Number: 3199
EU FLAVIS Number: 05.099
China GB Number: S0133
Molecular Weight: 188.26
Molecular Formula: C13H16O


Synonyms:
  • 5-METHYL-2-PHENYL-2-HEXENAL,
  • Benzeneacetaldehyde, a-(3-methylbutylidene)-,
  • Cocal,
CAS Name: Benzeneacetaldehyde, a-(3-methylbutylidene)-

APPLICATION INFORMATION
Odor Description: A distinctive cocoa aroma with mocha undertones.
Fragrance Use: Excellent for adding creamy cocoa, chocolatey notes and enhancing gourmand fragrances.
IFRA Status: This product contains material with an IFRA standard. This material and the amount present are as follows: Phenylacetaldehyde at 50 ppm.
Recommended Fragrance Use Level: 2% - 8%
Tenacity on Blotter: > 48 hours
Taste Description: Strong cocoa powder notes.
Flavor Use: Excellent for cocoa and chocolate notes.
Recommended Flavor Use Level: 0.5 - 5 PPM

SPECIFICATIONS
Minimum Purity: 97.0%
Main Isomer: 90.0% min.
Appearance: light yellow liquid
Refractive Index: 1.528 : 1.537 at 20 deg C
Specific Gravity: 0.968 : 0.978 at 25 deg C
Additives: synthetic alpha tocopherol @ 0.50%
Acid Value (Max.): 10.0 mg KOH/g(max)

TECHNICAL INFORMATION
Flash Point: 256 deg F (CC)
Boiling Point (approx): 280.58 C (EPI 4.0)
Solubility: Insoluble in water; soluble in alcohol.
Log P: 3.770
Kosher: YES
Halal: YES
RIFM Monograph: YES
Natural: NO
Nature Identical: YES
Regulatory Status: TSCA AICS CHINA DSL EINECS(244-602-3) PICCS
Export Tariff Code: 2912.29.0020
Shipped as Dangerous Good: NO

PACKAGING AND STORAGE
Recommended Packaging: Glass, Aluminum or Phenolic Lined Steel
Shelf Life: 48 months from manufacture date(when stored as recommended)
Recommended Storage: Store tightly sealed under inert gas in a cool, well-ventilated area.

Note: BRI’s Products are not for use in tobacco products, e cigarettes, or any other nicotine delivery devices; nor for use in non-tobacco delivery mechanisms such as vaping devices.
Last Revised: 03/20/2024