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trans-2-Hexenal

trans-2-Hexenal structure

CAS No:
6728-26-3
Formula:
C6H10O
Chemical Name:
trans-2-Hexenal
Synonyms:
2-Hexenal,(2E)-;2-Hexenal,(E)-;Leaf aldehyde;(2E)-2-Hexenal;trans-2-Hexen-1-al;(E)-2-Hexenal;(E)-2-Hexen-1-al;trans-2-Hexenal;(2E)-Hexenal;Green leaf aldehyde;(E)-Hex-2-enal
Categories:
Cosmetic Ingredient > Perfuming

Description

Trans-2-Hexenal can be used for the determination of low-molecular-weight carbonyl compounds which are reactive with biological nucleophiles in biological samples[1].

Liquid|Pale yellow to colourless oily liquid; Strong fruity, green, vegetable-like aroma

(2E)-hexenal is a 2-hexenal in which the olefinic double bond has E configuration. It occurs naturally in a wide range of fruits, vegetables, and spices. It has a role as a flavouring agent, an antibacterial agent and a plant metabolite.

trans-2-Hexenal Basic Attributes

Molecular Weight：

98.143

Exact Mass：

98.14

EC Number：

208-014-0

UNII：

69JX3AIR1I

DSSTox ID：

DTXSID7021609|DTXSID1041425

Characteristics

PSA：

17.07000

XLogP3：

1.5

Appearance：

Liquid

Density：

0.8±0.1 g/cm3

Melting Point：

159.6 °C

Boiling Point：

146.5 °C

Flash Point：

38.3±0.0 °C

Refractive Index：

1.422

Water Solubility：

Soluble in propylene glycol and most fixed oils; Very slightly soluble in water

Storage Conditions：

0-6ºC

Vapor Pressure：

10 mm Hg ( 20 °C)

Vapor Density：

3.4 (vs air)

OH：

4.40e-11 cm3/molecule*sec

Henrys Law Constant：

4.89e-05 atm-m3/mole

Peroxide Forming Chemical：

2-Hexenal|D*: Other compounds that may form peroxides|Bretherick's

Safety Information

Packing level：

III

Hazard category：

Transport codes：

UN 1988 3/PG 3

wgk germany：

hazard class code：

R10;R21/22

safety instructions：

S16-S26-S36

RTECS Number：

MP5900000

Marks：

Xn:Harmful

Precautionary statement(s)：

P280-P312

Hazard Statements：

H226-H302-H311-H317

GHS Classification：

|Danger|H226 (96.82%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P270, P272, P273, P280, P301+P312, P302+P352, P303+P361+P353, P305+P351+P338, P312, P321, P322, P330, P333+P313, P337+P313, P361, P363, P370+P378, P391, P403+P235, P405, and P501|Aggregated GHS information provided by 1791 companies from 26 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P270, P272, P273, P280, P301+P312, P302+P352, P303+P361+P353, P305+P351+P338, P312, P321, P322, P330, P332+P313, P333+P313, P337+P313, P361, P362, P363, P370+P378, P391, P403+P235, P405, and P501|Aggregated GHS information provided by 148 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

2-hexenal

trans-2-Hexenal Use and Manufacturing

Uses

Odor agents

Air care products

Production

< 25,000 lb

Manufacturing Info：

Food, beverage, and tobacco product manufacturing|2-Hexenal, (2E)-: ACTIVE|2-Hexenal: ACTIVE

Use Classification：

Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index|Fatty Acyls [FA] -> Fatty aldehydes [FA06]

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:98.14
XLogP3:1.5
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:98.073164938
Monoisotopic Mass:98.073164938
Topological Polar Surface Area:17.1
Heavy Atom Count:7
Complexity:64.6
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 6728-26-3

Grade: Pharmaceutical Grade

Content: 99%

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CN
3 YRS

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Trader Supplier of chemical

TRANS-2-HEXENAL 6728-26-3

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CAS No.: 6728-26-3

Grade: Pharmaceutical Grade

Content: 99.5%

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CN
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Guide of trans-2-Hexenal

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
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trans-2-Hexenal

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