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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

Quality Level

biological source

synthetic

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

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

Certificate of Analysis

Enter Lot Number to search for Certificate of Analysis (COA).

Certificate of Origin

Enter Lot Number to search for Certificate of Origin (COO).

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