ChemicalBook CAS DataBase List 6728-26-3

6728-26-3

Name	TRANS-2-HEXENAL
CAS	6728-26-3
EINECS(EC#)	229-778-1
Molecular Formula	C6H10O
MDL Number	MFCD00007008
Molecular Weight	98.14
MOL File	6728-26-3.mol

Chemical Properties

Appearance	clear colorless to light yellow liquid
Melting point	-78°C (estimate)
Boiling point	47 °C17 mm Hg(lit.)
density	0.846 g/mL at 25 °C(lit.)
vapor density	3.4 (vs air)
vapor pressure	10 mm Hg ( 20 °C)
FEMA	2560
refractive index	n20/D 1.446(lit.)
Fp	101 °F
storage temp.	0-6°C
solubility	Acetonitrile (Slightly), Chloroform (Slightly), Methanol
form	Liquid
color	Clear colorless to light yellow
Odor	at 10.00 % in dipropylene glycol. green banana aldehydic fatty cheesy
biological source	synthetic
Odor Type	green
Water Solubility	Insoluble
JECFA Number	1353
BRN	1699684
Henry's Law Constant	1.4×10^-1 mol/(m³Pa) at 25℃, Karl et al. (2003)
Cosmetics Ingredients Functions	PERFUMING
InChI	1S/C6H10O/c1-2-3-4-5-6-7/h4-6H,2-3H2,1H3/b5-4+
InChIKey	MBDOYVRWFFCFHM-SNAWJCMRSA-N
SMILES	CCC\C=C\C=O
LogP	1.58 at 25℃
CAS DataBase Reference	6728-26-3(CAS DataBase Reference)
NIST Chemistry Reference	2-Hexenal, (E)-(6728-26-3)
EPA Substance Registry System	6728-26-3(EPA Substance)

Safety Data

Symbol(GHS)	GHS02,GHS06
Signal word	Danger
Hazard statements	H226-H302-H311
Precautionary statements	P210-P233-P240-P280-P301+P312-P303+P361+P353
Hazard Codes	Xn,Xi,F
Risk Statements	R10:Flammable. R21/22:Harmful in contact with skin and if swallowed . R36/37/38:Irritating to eyes, respiratory system and skin . R20/21/22:Harmful by inhalation, in contact with skin and if swallowed . less more
Safety Statements	S16:Keep away from sources of ignition-No smoking . S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . S36:Wear suitable protective clothing . less more
RIDADR	UN 1988 3/PG 3
WGK Germany	2
RTECS	MP5900000
Hazard Note	Irritant
TSCA	Yes
REACH Registrations	Active
HazardClass	3
PackingGroup	III
HS Code	29121900
Storage Class	3 - Flammable liquids
Hazard Classifications	Acute Tox. 3 Dermal Acute Tox. 4 Oral Flam. Liq. 3

Raw materials And Preparation Products

Hazard Information

Chemical Properties

(E)-2-Hexenal is the simplest straight-chain unsaturated aldehyde of interest for perfumes and flavors. It occurs in essential oils obtained from green leaves of many plants.
(E)-2-Hexenal is a colorless, sharp, herbal-green-smelling liquid with a slight acrolein-like pungency. Upon dilution, however, it smells pleasantly green and apple-like. The aldehyde can be synthesized by reacting butanal with vinyl ethyl ether in the presence of boron trifluoride, followed by hydrolysis of the reaction product with dilute sulfuric acid.
Biosynthetic methods for its production as natural flavor material have been developed.
(E)-2-Hexenal has an intense odor and is used in perfumes to obtain a green-leaf note and in fruit flavors for green nuances.

Chemical Properties

clear colorless to light yellow liquid

Uses

trans-2-Hexen-1-al was used in evaluation of quality of protected designation of origin virgin olive oils by headspace solid-phase microextraction-gas chromatography using flame ionization detection and multivariate analysis. It was used in the multicomponent method for the determination of low-molecular-weight carbonyl compounds in biological samples.

Uses

Also known as “leaf aldehyde,” it is of special interest because it is naturally present in numerous fruits and is also used as a food additive for flavoring. Feron et al. identified hexenal in about 80 different types of food.

Uses

trans-2-Hexenal is used in evaluation of quality of protected designation of origin virgin olive oils by headspace solid-phase microextraction-gas chromatography using flame ionization detection and multivariate analysis. It was used in the multicomponent method for the determination of low-molecular-weight carbonyl compounds in biological samples.

Definition

ChEBI: A 2-hexenal in which the olefinic double bond has E configuration. It occurs naturally in a wide range of fruits, vegetables, and spices.

Synthesis Reference(s)

Journal of the American Chemical Society, 71, p. 3468, 1949 DOI: 10.1021/ja01178a061
Tetrahedron Letters, 36, p. 8513, 1995 DOI: 10.1016/0040-4039(95)01784-F

General Description

trans-2-Hexen-1-al is an important flavoring compound that occurs naturally in tomatoes, banana and black tea.

Synthesis

trans-2-HEXENAL is synthesized by the following methods: 1) by reduction of Hexenoic acid with Formic acid vapors over Manganese dioxide at 350℃. 2) by oxidation of the corresponding Hexenol. 3) by condensation of Acetaldehyde with n-Butyraldehyde.

storage

4°C, stored under nitrogen

Questions And Answer

Spectrum Detail

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Chemical Properties

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Uses

Definition

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Synthesis

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