ChemicalBook--->CAS DataBase List--->6728-26-3

6728-26-3

6728-26-3 Structure

6728-26-3 Structure
IdentificationMore
[Name]

TRANS-2-HEXENAL
[CAS]

6728-26-3
[Synonyms]

BETA-PROPYLACROLEIN
FEMA 2560
HEX-2(TRANS)-ENAL
HEXEN-1-AL,TRANS-2-
LEAF ALDEHYDE
T2 HEXENAL
TRANS-2-HEXEN-1-AL
TRANS-2-HEXEN-1-YL ALDEHYDE
TRANS-2-HEXENAL
TRANS-2-HEXENYL ALDEHYDE
TRANS-3-PROPYLACROLEIN
(2E)-2-Hexenal
(E)-2-hexanal
(E)-2-hexen-1-al
(e)-2-hexena
(E)-2-Hexenal
(E)-hex-2-en-1-al
(E)-hex-2-enal
(E)-Hexenal
2-(E)-hexenal
[EINECS(EC#)]

229-778-1
[Molecular Formula]

C6H10O
[MDL Number]

MFCD00007008
[Molecular Weight]

98.14
[MOL File]

6728-26-3.mol
Chemical PropertiesBack Directory
[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 DataBack Directory
[Symbol(GHS) ]

Flame (GHS02)Skull and Crossbones (GHS06)
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 .
[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 .
[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 ProductsBack Directory
[Raw materials]

Acetal-->Hexanal
[Preparation Products]

3-methylhexanal-->1,1-Diethoxybutane-->Methyl trans-2-hexenoate, 98-->trans-2-Hexenal dimethyl acetal-->2-Ethylfuran-->1,2-Ethenediylbis(oxy) (9CI)-->3-Propylheptanoic acid
Questions And AnswerBack Directory
[Descriptioin]

Tans-2-Hexenal is a colorless to pale yellow clear liquid. It occurs naturally in tomatoes, banana and black tea. It gives a leafy, fruity, fatty, apple banana, strawberry note.1 It is mostly used as a flavoring agent in food. It is also used in air care products, cleaning and furnishing care products, laundry and dishwashing products.
Hazard InformationBack Directory
[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
Spectrum DetailBack Directory
[Spectrum Detail]

TRANS-2-HEXENAL(6728-26-3)MS
TRANS-2-HEXENAL(6728-26-3)1HNMR
TRANS-2-HEXENAL(6728-26-3)13CNMR
TRANS-2-HEXENAL(6728-26-3)IR1
TRANS-2-HEXENAL(6728-26-3)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

trans-2-Hexenal, 99%(6728-26-3)
[Alfa Aesar]

trans-2-Hexenal, 98%(6728-26-3)
[Sigma Aldrich]

6728-26-3(sigmaaldrich)
[TCI AMERICA]

trans-2-Hexenal,>95.0%(GC)(6728-26-3)
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