W319912

5-Methyl-2-phenyl-2-hexenal, mixture of isomers

natural, ≥96%, FG

• Synonym(s): 2-Phenyl-5-methylhex-2-enal, Cocal, 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
• UNSPSC Code: 12164502
• PubChem Substance ID: 24901547
• Flavis number: 5.099

Properties

• grade: FG; Fragrance grade; Halal; Kosher; natural
• Quality Level: 400
• agency: follows IFRA guidelines; meets purity specifications of JECFA
• reg. compliance: EU Regulation 1223/2009; EU Regulation 1334/2008 & 178/2002; FDA 21 CFR 117
• assay: ≥96%
• density: 0.973 g/mL at 25 °C
• 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
• 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/b13-9-
• InChI key: YURDCJXYOLERLO-LCYFTJDESA-N

Description

Application

• A 90-day subchronic toxicity study of 5-methyl-2-phenyl-2-hexenal in F344 rats.: This study investigates the subchronic toxicity of 5-methyl-2-phenyl-2-hexenal, an aromatic aldehyde, in laboratory rats. The research assesses various biomarkers of organ toxicity, blood chemistry, and histopathological changes after repeated administration, emphasizing its safety profile and potential risks in biological systems (Nakamura et al., 2021).

Safety Information

• pictograms: GHS07
• signalword: Warning
• hcodes: H302 - H317
• pcodes: P280 - P301 + P312 + P330 - P302 + P352
• Hazard Classifications: Acute Tox. 4 Oral - 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