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Key Documents

W320005

Sigma-Aldrich

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

≥88%, stabilized

Synonym(s):

cocoa pentenal

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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

signalword

Warning

Hazard Classifications

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

target_organs

Respiratory system

Storage Class

10 - Combustible liquids

wgk_germany

WGK 3

flash_point_f

235.4 °F - closed cup

flash_point_c

113 °C - closed cup

ppe

Eyeshields, Gloves, type ABEK (EN14387) respirator filter


Certificates of Analysis (COA)

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

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