Ethyl vanillin

CAT: 0013-GTR19164292-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19164292-02Size:50 mg

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Description

Ethylvanillin is a flavorant, about three times as potent as vanillin and is used in the production of chocolate.

CAS Number

121-32-4

Purity

>98% (HPLC)

Solubility

Soluble in Water

Smiles

CCOC1=C (O) C=CC (C=O) =C1

Molecular Formula

C9H10O3

Molecular Weight

166.17

Storage Conditions

Storage temperature: -20°C. Stability: ≥ 2 years

Notes

For research use only.

Chemical Information

Ethylvanillin

Ethyl vanillin is a member of the class of benzaldehydes that is vanillin in which the methoxy group is replaced by an ethoxy group. It has a role as an antioxidant and a flavouring agent. It is a member of benzaldehydes, a member of phenols and an aromatic ether. It is functionally related to a vanillin.

CAS Number	121-32-4
PubChem CID	8467
IUPAC Name	3-ethoxy-4-hydroxybenzaldehyde
Molecular Formula	C9H10O3
Molecular Weight	166.17
XLogP	1.6
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	12
Formal Charge	0
Complexity	147

SMILES

CCOC1=C(C=CC(=C1)C=O)O

InChI

InChI=1S/C9H10O3/c1-2-12-9-5-7(6-10)3-4-8(9)11/h3-6,11H,2H2,1H3

InChIKey

CBOQJANXLMLOSS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 121-32-4

CID: 8467

Formula: C9H10O3

MW: 166.17

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	166.17
XLogP3	1.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	166.062994177
Monoisotopic Mass	166.062994177
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	147
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Ethyl vanillin

Chemical Information

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