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W319902

Sigma-Aldrich

5-Methyl-2-phenyl-2-hexenal

≥96%, FG

Synonym(s):

cocoa hexenal

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About This Item

Linear Formula:
(CH3)2CHCH2CH=C(C6H5)CHO
CAS Number:
Molecular Weight:
188.27
FEMA Number:
3199
EC Number:
Council of Europe no.:
10365
MDL number:
UNSPSC Code:
12164502
PubChem Substance ID:
Flavis number:
5.099
NACRES:
NA.21

biological source

synthetic

Quality Level

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

Related Categories

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).

Pictograms

Exclamation mark

Signal Word

Warning

Hazard Statements

Hazard Classifications

Acute Tox. 4 Oral - Skin Sens. 1

Storage Class Code

10 - Combustible liquids

WGK

WGK 2

Flash Point(F)

235.4 °F - closed cup

Flash Point(C)

113 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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