2-ethyl-2-Butenal

Compound Structure:

Synonyms:

2-Ethylcrotonaldehyde;2-Butenal, 2-ethyl-;19780-25-7;(E)-2-ethylbut-2-enal;2-Ethyl-trans-2-butenal;CROTONALDEHYDE, 2-ETHYL-;63883-69-2;(2E)-2-Ethyl-2-butenal;2-Ethyl-(E)-2-butenal;CH3CH=C(C2H5)CHO;trans-2-Ethylcrotonal

Compound ID:

NMPC-234

PubChem ID:

5362897

Molecular Formula:

C6H10O

Canonical SMILES:

CCC(=CC)C=O

InChIKey:

IQGZCSXWIRBTRW-ZZXKWVIFSA-N

About the compound:

GHS Hazard Statements

• H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

• H311 (100%): Toxic in contact with skin [Danger Acute toxicity, dermal]

• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

• H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Properties:

Chemical and Physical Properties

Property Name	Property Value
Molecular Weight	98.14 g/mol
XLogP3-AA	1.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	98.073164938 g/mol
Monoisotopic Mass	98.073164938 g/mol
Topological Polar Surface Area	17.1Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	82.2
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Source: PubChem

Source Species:

Tamarindus indica

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