Vanillin acetate

CAT: 0931-T2977-01Size: 1 gDry Ice: NoHazardous: No

1 / 1

CAT#:0931-T2977-01Size:1 g

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

881-68-5

Target

Others

Related Pathways

Others

Purity

0.9945

Bioactivity

Acetylvanillin is a derivative of Vanillin, the primary component found in vanilla bean extract.

Smiles

COC1=CC(C=O)=CC=C1OC(C)=O

Molecular Formula

C10H10O4

Molecular Weight

194.18

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Vanillin acetate

Vanillin acetate is a phenyl acetate obtained by the formal condensation of phenolic group of vanillin with acetic acid. It is a member of phenyl acetates, a member of benzaldehydes and a monomethoxybenzene. It is functionally related to a vanillin.

CAS Number	881-68-5
PubChem CID	61229
IUPAC Name	(4-formyl-2-methoxyphenyl) acetate
Molecular Formula	C10H10O4
Molecular Weight	194.18
XLogP	0.8
Topological Polar Surface Area	52.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	14
Formal Charge	0
Complexity	214

SMILES

CC(=O)OC1=C(C=C(C=C1)C=O)OC

InChI

InChI=1S/C10H10O4/c1-7(12)14-9-4-3-8(6-11)5-10(9)13-2/h3-6H,1-2H3

InChIKey

PZSJOBKRSVRODF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 881-68-5

CID: 61229

Formula: C10H10O4

MW: 194.18

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	194.18
XLogP3	0.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	194.05790880
Monoisotopic Mass	194.05790880
Topological Polar Surface Area	52.6 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	214
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

Related Products

Catalog	Name
T6717-01	Vanillin
T72926-01	IMD-vanillin
TMIH-0593-01	Vanillin-d3
TMID-0012-01	Ethyl-d5 Vanillin
TMIH-0338-01	Methyl vanillin-d3
T40624-01	Methyl acetate-PEG1-methyl acetate
TYD-01795-01	Photobiotin acetate
TP3205-01	Angiotensin Acetate
T38023-01	FTISADTSK acetate
T3930	Taraxerol acetate

Alternative Products

Catalog	Name
881-68-5	Vanillin acetate
S9337-25mg	Ethyl vanillin acetate
HY-W009948R-01	Vanillin acetate (Standard)
TRC-V097500-10G	Vanillin

Vanillin acetate

Chemical Information

Related Products

Alternative Products

Popular Products