W319902

Sigma-Aldrich

5-Methyl-2-phenyl-2-hexenal

≥96%, FG

Synonym(s):
cocoa hexenal
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:
PubChem Substance ID:
Flavis number:
5.099
NACRES:
NA.21
Pricing and availability is not currently available.

Quality Level

biological source

synthetic

grade

FG
Halal
Kosher

Agency/Method

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.)

Documentation

see Safety & Documentation for available documents

Featured Industry

Flavors and Fragrances

Organoleptic

bitter; chocolate; cocoa

food allergen

no known allergens

fragrance allergen

no known allergens

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

Packaging

5 kg in steel drum
250 g in glass bottle
1 kg in glass bottle

Other Notes

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Pictograms

Exclamation mark

Signal Word

Warning

Hazard Statements

Personal Protective Equipment

dust mask type N95 (US),Eyeshields,Gloves

Hazard Codes

Xi

Risk Statement

36/38

Safety Statement

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

Alekandra Bojke et al.
Journal of microbiological methods, 169, 105835-105835 (2020-01-10)
In this study, a procedure was developed to determine aldehydes using headspace solid-phase microextraction (HS-SPME) followed by gas chromatography (GC) coupled with mass spectrometry (MS). The aldehydes selected for research had previously been identified in various species of insects. Minimal...
Rowe, D.
Perfumer & Flavorist, 30, 20-20 (2005)

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