W319902

5-Methyl-2-phenyl-2-hexenal

≥96%, FG

• Synonym(s): cocoa hexenal
• Linear Formula: (CH₃)₂CHCH₂CH=C(C₆H₅)CHO
• CAS Number: 21834-92-4
• Molecular Weight: 188.27
• FEMA Number: 3199
• EC Number: 244-602-3
• Council of Europe no.: 10365
• MDL number: MFCD00036615
• UNSPSC Code: 12164502
• PubChem Substance ID: 24901547
• Flavis number: 5.099
• NACRES: NA.21

Properties

• biological source: synthetic
• Quality Level: 400
• grade: FG; Fragrance grade; Halal; Kosher
• agency: follows IFRA guidelines; meets purity specifications of JECFA
• reg. compliance: EU Regulation 1223/2009; EU Regulation 1334/2008 & 178/2002
• vapor density: >1 (vs air)
• assay: ≥96%
• refractive index: n20/D 1.534 (lit.)
• density: 0.973 g/mL at 25 °C (lit.)
• application(s): flavors and fragrances
• documentation: see Safety & Documentation for available documents
• food allergen: no known allergens
• fragrance allergen: no known allergens
• organoleptic: bitter; chocolate; cocoa
• SMILES string: [H]C(C(C1=CC=CC=C1)=CCC(C)C)=O
• InChI: 1S/C13H16O/c1-11(2)8-9-13(10-14)12-6-4-3-5-7-12/h3-7,9-11H,8H2,1-2H3
• InChI key: YURDCJXYOLERLO-UHFFFAOYSA-N

Description

Application

• Characterization of aroma active volatile components in roasted mullet roe.: This study identifies 5-Methyl-2-phenyl-2-hexenal as a key component contributing to the distinctive aroma profile of roasted mullet roe. This research provides insights into flavor science and the role of volatile compounds in food aroma, helping enhance product development in the food industry (Fang M et al., 2022).


• A 90-day subchronic toxicity study of 5-methyl-2-phenyl-2-hexenal in F344 rats.: This toxicological evaluation assesses the safety of 5-Methyl-2-phenyl-2-hexenal, providing essential data for its use in various consumer products. Understanding its toxicological profile helps ensure safety in its application, crucial for regulatory approval and consumer safety (Ogawa K et al., 2021).


• 5-Methyl-2-phenyl-2-hexenal in the scent gland secretion of male cave crickets, Troglophilus cavicola and T. neglectus (Ensifera: Rhaphidophoridae).: Describes the presence of 5-Methyl-2-phenyl-2-hexenal in the scent glands of cave crickets, suggesting its role in chemical communication and possibly in mating behavior. Such studies enhance our understanding of animal behavior and pheromone-based communication systems (Leis HJ et al., 1998).

Safety Information

• pictograms: GHS07
• signalword: Warning
• hcodes: H315,H317,H319
• pcodes: P261 - P264 - P272 - P280 - P302 + P352 - P305 + P351 + P338
• Hazard Classifications: Eye Irrit. 2 - Skin Irrit. 2 - Skin Sens. 1
• Storage Class: 10 - Combustible liquids
• wgk_germany: WGK 2
• flash_point_f: 235.4 °F - closed cup
• flash_point_c: 113 °C - closed cup
• ppe: Eyeshields, Gloves, type ABEK (EN14387) respirator filter