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W320005

Sigma-Aldrich

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

≥88%, stabilized

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Synonym(s):
cocoa pentenal
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:
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

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1 of 4

This Item
W319912W319902W316407
grade

Halal, Kosher

grade

FG, Fragrance grade, Halal, Kosher, natural

grade

FG, Fragrance grade, Halal, Kosher

grade

Halal, Kosher

assay

≥88%

assay

≥96%

assay

≥96%

assay

≥88%

refractive index

n20/D 1.536 (lit.)

refractive index

-

refractive index

n20/D 1.534 (lit.)

refractive index

n20/D 1.534 (lit.)

bp

96 °C/0.7 mmHg (lit.)

bp

-

bp

-

bp

84-84.5 °C (lit.)

density

0.983 g/mL at 25 °C (lit.)

density

0.973 g/mL at 25 °C

density

0.973 g/mL at 25 °C (lit.)

density

0.881 g/mL at 25 °C (lit.)

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

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

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