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

SIAL/W319912 - natural, ≥96%, FG

Synonym: 2-Phenyl-5-methylhex-2-enal; Cocal; cocoa hexenal

CAS Number: 21834-92-4
Empirical Formula (Hill Notation): C13H16O
Molecular Weight: 188.27
EC Number: 244-602-3
Linear Formula: (CH3)2CHCH2CH=C(C6H5)CHO
Product Type: Chemical
Catalog Number PKG Qty. Price Quantity
45-W319912-5G-K 5 g
 $74.90
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45-W319912-100G-K 100 g
 $1240.00
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45-W319912-500G-K 500 g
 $5420.00
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agency follows IFRA guidelines
  meets purity specifications of JECFA
application(s) flavors and fragrances
assay ≥96%
density 0.973 g/mL at 25 °C
documentation see Safety & Documentation for available documents
food allergen no known allergens
fragrance allergen no known allergens
grade FG
  Fragrance grade
  Halal
  Kosher
  natural
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
organoleptic bitter; chocolate; cocoa
Quality Level 400 
reg. compliance EU Regulation 1223/2009
  EU Regulation 1334/2008 & 178/2002
  FDA 21 CFR 117
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 ).
Packaging: 100, 500 g in poly bottle
Packaging: 5 g in glass bottle
Purity ≥96%
Density 0.973 g/mL at 25 °C
FEMA Number 3199
UNSPSC 12164502

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