Skip to Content
Merck
All Photos(1)

Key Documents

W320005

Sigma-Aldrich

4-Methyl-2-phenyl-2-pentenal, mixture of cis and trans

≥88%, stabilized

Synonym(s):

cocoa pentenal

Sign Into View Organizational & Contract Pricing


About This Item

Linear Formula:
(CH3)2CHCH=C(C6H5)CHO
CAS Number:
Molecular Weight:
174.24
FEMA Number:
3200
EC Number:
Council of Europe no.:
10366
MDL number:
UNSPSC Code:
12164502
PubChem Substance ID:
Flavis number:
5.100
NACRES:
NA.21

biological source

synthetic

Quality Level

grade

Halal
Kosher

Assay

≥88%

may contain

α-tocopherol, synthetic

refractive index

n20/D 1.536 (lit.)

bp

96 °C/0.7 mmHg (lit.)

density

0.983 g/mL at 25 °C (lit.)

application(s)

flavors and fragrances

Documentation

see Safety & Documentation for available documents

food allergen

no known allergens

Organoleptic

cocoa; rose; sweet

SMILES string

CC(C)\C=C(/C=O)c1ccccc1

InChI

1S/C12H14O/c1-10(2)8-12(9-13)11-6-4-3-5-7-11/h3-10H,1-2H3/b12-8+

InChI key

ULRYRAHIBWLZKC-XYOKQWHBSA-N

Disclaimer

For R&D or non-EU Food use. Not for retail sale.

Pictograms

Exclamation mark

Signal Word

Warning

Hazard Statements

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

10 - Combustible liquids

WGK

WGK 3

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

Choose from one of the most recent versions:

Certificates of Analysis (COA)

Lot/Batch Number

Don't see the Right Version?

If you require a particular version, you can look up a specific certificate by the Lot or Batch number.

Already Own This Product?

Find documentation for the products that you have recently purchased in the Document Library.

Visit the Document Library

Rowe, D.
Perfumer & Flavorist, 30, 20-20 (2005)

Our team of scientists has experience in all areas of research including Life Science, Material Science, Chemical Synthesis, Chromatography, Analytical and many others.

Contact Technical Service