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Merck
CN

W342904

trans,trans-2,4-Hexadienal

≥80%

Synonym(s):

(E,E)-2,4-Hexadienal, Sorbaldehyde, Sorbic aldehyde

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About This Item

Linear Formula:
CH3CH=CHCH=CHCHO
CAS Number:
Molecular Weight:
96.13
FEMA Number:
3429
Council of Europe no.:
640
UNSPSC Code:
12164502
PubChem Substance ID:
Flavis number:
5.057
EC Number:
205-564-3
NACRES:
NA.21
MDL number:
Beilstein/REAXYS Number:
1698401
Organoleptic:
green; fruity; citrus
Biological source:
synthetic
Food allergen:
no known allergens
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Product Name

trans,trans-2,4-Hexadienal, ≥80%

SMILES string

[H]C(=O)\C=C\C=C\C

InChI

1S/C6H8O/c1-2-3-4-5-6-7/h2-6H,1H3/b3-2+,5-4+

InChI key

BATOPAZDIZEVQF-MQQKCMAXSA-N

biological source

synthetic

vapor density

>1 (vs air)

assay

≥80%

refractive index

n20/D 1.541 (lit.)

bp

69 °C/20 mmHg (lit.)

density

0.895 g/mL at 20 °C
0.871 g/mL at 25 °C (lit.)

application(s)

flavors and fragrances

documentation

see Safety & Documentation for available documents

food allergen

no known allergens

organoleptic

green; fruity; citrus

storage temp.

2-8°C

Quality Level

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General description

trans,trans-2,4-Hexadienal is a volatile is a flavor compound that is reported to occur in different types of tea.

Disclaimer

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

pictograms

Skull and crossbonesCorrosion

signalword

Danger

Hazard Classifications

Acute Tox. 3 Dermal - Acute Tox. 3 Oral - Eye Dam. 1 - Skin Corr. 1B - Skin Sens. 1

Storage Class

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

wgk

WGK 3

flash_point_f

154.0 °F - closed cup

flash_point_c

67.77 °C - closed cup

ppe

Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter

Regulatory Information

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Comparison of catechins and volatile compounds among different types of tea using high performance liquid chromatograph and gas chromatograph mass spectrometer.
Wang K, et al.
International Journal of Food Science and Technology, 46(7), 1406-1412 (2011)
Margaret P O'Connor et al.
Physical chemistry chemical physics : PCCP, 8(44), 5236-5246 (2007-01-05)
The atmospheric photolysis of E-2-hexenal, Z-3-hexenal and E,E-2,4-hexadienal has been investigated at the large outdoor European Photoreactor (EUPHORE) in Valencia, Spain. E-2-Hexenal and E,E-2,4-hexadienal were found to undergo rapid isomerization to produce Z-2-hexenal and a ketene-type compound (probably E-hexa-1,3-dien-1-one), respectively.
A Nyska et al.
Archives of toxicology, 75(10), 618-624 (2002-01-26)
2,4-Hexadienal (2,4-Hx), an unsaturated aldehyde formed by in vivo and in vitro peroxidation of unsaturated lipid induced, in National Toxicology Program (NTP) gavage studies of F344 rats, forestomach hyperplasia in 13-week and 2-year exposures and squamous papilloma and carcinoma in
exo-Selective asymmetric Diels-Alder reaction of 2,4-dienals and nitroalkenes by trienamine catalysis.
Zhi-Jun Jia et al.
Angewandte Chemie (International ed. in English), 50(37), 8638-8641 (2011-07-26)
Ping C Lee et al.
Toxicology letters, 136(3), 173-181 (2002-12-31)
Since a number of food and food products contain 2,4-hexadienal (HX), an unsaturated aldehyde, human exposure to HX is likely. Long term HX feeding to rodents induces forestomach cancers. Aldehyde dehydrogenases (ALDH) are key enzymes in the stomach for the

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