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trans-2-Heptenal

trans-2-Heptenal structure

CAS No:
18829-55-5
Formula:
C7H12O
Chemical Name:
trans-2-Heptenal
Synonyms:
2-Heptenal,(2E)-;2-Heptenal,(E)-;(2E)-2-Heptenal;trans-2-Heptenal;2-trans-Heptenal;n-Hept-trans-2-enal;(E)-2-Heptenal;(E)-2-Hepten-1-al;(2E)-Heptenal;trans-2-Hepten-1-al
Categories:
Flavors and Fragrances > Synthetic Fragrances

Description

clear colorless to light yellow liquid

Colourless mobile liquid; Pungent green, somewhat fatty aroma

(E)-hept-2-enal is a monounsaturated fatty aldehyde that is (2E)-hept-2-ene which is carrying an oxo group at position 1. Found in the peel of Malaysian pink and white pomelo peel and in the scent gland secretion of the rice stink bug Oebalus pugnax. It has a role as a plant metabolite and a uremic toxin. It is an enal, a monounsaturated fatty aldehyde and a medium-chain fatty aldehyde.

trans-2-Heptenal Basic Attributes

Molecular Weight：

112.17

Exact Mass：

112.17

EC Number：

242-608-0

UNII：

4NJZ8GMQ6F

DSSTox ID：

DTXSID4062436

HScode：

29121900

Characteristics

PSA：

17.1

XLogP3：

2.11

Appearance：

Colourless mobile liquid; Pungent green, somewhat fatty aroma

Density：

0.857 g/mL at 25 °C(lit.)

Melting Point：

-53.35°C (estimate)

Boiling Point：

70-73 °C @ Press: 19 Torr

Flash Point：

128 °F

Refractive Index：

n 20/D 1.450(lit.)

Water Solubility：

slightly|Soluble in oils; Insoluble in water|Soluble (in ethanol)

Storage Conditions：

Refrigerator (+4°C) + Flammables area

Vapor Pressure：

3.22mmHg at 25°C

Vapor Density：

>1 (vs air)

Safety Information

Packing level：

III

Hazard category：

3.2

Transport codes：

UN 1988 3/PG 3

wgk germany：

hazard class code：

10-20/21-43

safety instructions：

16-36/37

RTECS Number：

MJ8795000

Marks：

Xn,Xi

Hazard note：

Irritant

Precautionary statement(s)：

P280-P312

Hazard Statements：

H226-H302-H311-H317-H332

GHS Classification：

|Danger|H226 (76.35%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P270, P272, P280, P301+P312, P302+P352, P303+P361+P353, P312, P321, P322, P330, P333+P313, P361, P363, P370+P378, P403+P235, P405, and P501|Aggregated GHS information provided by 1645 companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|Aggregated GHS information provided by 104 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

2-hept-enal

trans-2-Heptenal Use and Manufacturing

Manufacturing Info：

2-Heptenal, (2E)-: ACTIVE|2-Heptenal: 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:112.17
XLogP3:2.1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:4
Exact Mass:112.088815002
Monoisotopic Mass:112.088815002
Topological Polar Surface Area:17.1
Heavy Atom Count:8
Complexity:74.5
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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trans-2-Heptenal

CAS No.: 18829-55-5

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High quality Trans-2-Heptenal CAS NO.18829-55-5

CAS No.: 18829-55-5

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Content: 99%

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Guide of trans-2-Heptenal

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
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