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Key Documents

W342904

Sigma-Aldrich

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
Beilstein:
1698401
EC Number:
Council of Europe no.:
640
MDL number:
UNSPSC Code:
12164502
PubChem Substance ID:
Flavis number:
5.057
NACRES:
NA.21

biological source

synthetic

Quality Level

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

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

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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

Signal Word

Danger

Hazard Statements

Hazard Classifications

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

Storage Class Code

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

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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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)
Po C Chan et al.
Archives of toxicology, 77(9), 511-520 (2003-07-25)
2,4-Hexadienal (2,4-Hx) was studied for its toxicity and carcinogenicity because of its alpha, beta-unsaturated aldehyde structure and potential link between exposure to lipid peroxidation products in the diet and human malignancies. Male and female F344N rats and B6C3F1 mice received
National Toxicology Program technical report series, (509)(509), 1-290 (2004-03-05)
2,4-Hexadienal, a colorless to yellow liquid with a pungent "green" or citrus odor, is used as a food additive for flavor enhancement, as a fragrance agent, as a starting material or intermediate in synthetic reactions in the chemical and pharmaceutical
Cell spreading on collagen that has been exposed to reactive aldehydes.
L Thorne et al.
Biochemical Society transactions, 20(4), 369S-369S (1992-11-01)
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.

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