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Key Documents

W316504

Sigma-Aldrich

trans-2-Heptenal

≥95%, stabilized, FG

Synonym(s):

(E)-2-Heptenal

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About This Item

Linear Formula:
CH3(CH2)3CH=CHCHO
CAS Number:
Molecular Weight:
112.17
FEMA Number:
3165
Beilstein:
1700822
EC Number:
Council of Europe no.:
730
MDL number:
UNSPSC Code:
12164502
PubChem Substance ID:
Flavis number:
5.150
NACRES:
NA.21

biological source

synthetic

Quality Level

grade

FG
Halal
Kosher

reg. compliance

EU Regulation 1334/2008 & 178/2002
FDA 21 CFR 110

vapor density

>1 (vs air)

Assay

≥95%

contains

alpha-tocopherol, synthetic as stabilizer

refractive index

n20/D 1.450 (lit.)

bp

90-91 °C/50 mmHg (lit.)

density

0.857 g/mL at 25 °C (lit.)

application(s)

flavors and fragrances

Documentation

see Safety & Documentation for available documents

food allergen

no known allergens

Organoleptic

apple; fatty; green; green; spicy

SMILES string

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

InChI

1S/C7H12O/c1-2-3-4-5-6-7-8/h5-7H,2-4H2,1H3/b6-5+

InChI key

NDFKTBCGKNOHPJ-AATRIKPKSA-N

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General description

trans-2-Heptenal is a volatile flavor constituent identified in heated butter and tomato.

Application


  • Studies on the reaction of trans-2-heptenal with peanut proteins: This research examines the interactions between trans-2-heptenal and peanut proteins, providing significant insights into food chemistry and the stability of flavor compounds in food products. The study reveals potential implications for biochemists interested in food allergenicity and protein-aldehyde interactions (Globisch et al., 2014).

  • An experimental study of the gas-phase reactions of NO3 radicals with a series of unsaturated aldehydes: trans-2-hexenal, trans-2-heptenal, and trans-2-octenal: This paper explores the reactivity of trans-2-heptenal with NO3 radicals in the gas phase, contributing to a better understanding of atmospheric chemistry and the environmental behavior of volatile organic compounds. Such information is crucial for biochemists studying the environmental impacts of organic compounds (Kerdouci et al., 2012).

Pictograms

FlameSkull and crossbones

Signal Word

Danger

Hazard Classifications

Acute Tox. 3 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Flam. Liq. 3 - Skin Sens. 1

Storage Class Code

3 - Flammable liquids

WGK

WGK 3

Flash Point(F)

123.8 °F - closed cup

Flash Point(C)

51 °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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Identification of loci affecting flavour volatile emissions in tomato fruits.
Tieman DM, et al.
Journal of Experimental Botany, 57(4), 887-896 (2006)
Charlotte L Steffensen et al.
Journal of agricultural and food chemistry, 50(25), 7392-7395 (2002-11-28)
In the present study, the aldehyde-induced pro-oxidative activity of xanthine oxidase was followed in an accelerated raw milk system using spin-trap electron spin resonance (ESR) spectroscopy. The aldehydes acetaldehyde, propanal, hexanal, trans-2-hexenal, trans-2-heptenal, trans-2-nonenal, and 3-methyl-2-butenal were all found to
Isolation and identification of headspace volatiles formed in heated butter.
Lee SR, et al.
Journal of Agricultural and Food Chemistry, 39(11), 1972-1975 (1991)
M E Davis et al.
Physical chemistry chemical physics : PCCP, 9(18), 2240-2248 (2007-05-10)
Rate coefficients for the gas-phase reaction of the OH radical with (E)-2-pentenal (CH(3)CH(2)CH[double bond]CHCHO), (E)-2-hexenal (CH(3)(CH(2))(2)CH[double bond]CHCHO), and (E)-2-heptenal (CH(3)(CH(2))(3)CH[double bond]CHCHO), a series of unsaturated aldehydes, over the temperature range 244-374 K at pressures between 23 and 150 Torr (He
Yu-Ning Hu et al.
Talanta, 206, 120172-120172 (2019-09-14)
Derivatization is frequently used in liquid chromatography-mass spectrometry (LC-MS) to improve the ionization characteristics of analytes, and facilitate their structural elucidation and quantification. However, the off-line derivatization process usually requires more analysis time. Therefore, the present work develops a novel

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