5-Methyl-2-phenyl-2-hexenal

ALDRICH/W319902 - ≥96%, FG

Synonym: cocoa hexenal

CAS Number: 21834-92-4
Empirical Formula (Hill Notation): C₁₃H₁₆O
Molecular Weight: 188.27
EC Number: 244-602-3
MDL Number: MFCD00036615
Linear Formula: (CH₃)₂CHCH₂CH=C(C₆H₅)CHO
Product Type: Chemical

Catalog Number	PKG Qty.	Price


45-W319902-SAMPLE-K	1 each	$58.00 1/EA	Add To Favorites
45-W319902-250G-K	250 g	$228.00 1/EA	Add To Favorites
45-W319902-1KG-K	1 kg	$468.00 1/EA	Add To Favorites
45-W319902-5KG-K	5 kg	$1940.00 1/EA	Add To Favorites

Properties
Descriptions
Safety Info.
Basic Data

agency	follows IFRA guidelines
	meets purity specifications of JECFA
application(s)	flavors and fragrances
assay	≥96%
biological source	synthetic
density	0.973 g/mL at 25 °C (lit.)
documentation	see Safety & Documentation for available documents
food allergen	no known allergens
fragrance allergen	no known allergens
grade	FG
	Fragrance grade
	Halal
	Kosher
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
organoleptic	bitter; chocolate; cocoa
Quality Level	300
	400
refractive index	n20/D 1.534 (lit.)
reg. compliance	EU Regulation 1223/2009
	EU Regulation 1334/2008 & 178/2002
SMILES string	[H]C(C(C1=CC=CC=C1)=CCC(C)C)=O
vapor density	>1 (vs air)

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 ).
Packaging:	1 kg in glass bottle
Packaging:	250 g in glass bottle
Packaging:	5 kg in steel drum

Symbol	GHS07
Signal word	Warning
Hazard statements	H302 - H317
Precautionary statements	P261 - P264 - P270 - P280 - P301 + P312 - P302 + P352
Hazard Codes	Xi
Risk Statements	36/38
Safety Statements	26-36/37/39
RIDADR	NONH for all modes of transport
WGK Germany	WGK 2
Flash Point(F)	235.4 °F - closed cup
Flash Point(C)	113 °C - closed cup

Purity	≥96%
Density	0.973 g/mL at 25 °C (lit.)
Refractive Index	n20/D 1.534 (lit.)
FEMA Number	3199
UNSPSC	12164502

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