ContaminantDB: Polyvinyl acetate

Identification Taxonomy Biological Properties Physical Properties Toxicity Profile Spectra Concentrations Links References Targets (1)XML

Record Information

Version

1.0

Creation Date

2009-07-30 17:58:33 UTC

Update Date

2026-04-06 07:30:17 UTC

Accession Number

CHEM002498

Identification

Common Name

Polyvinyl acetate

Class

Small Molecule

Description

Polyvinyl acetate is a rubbery synthetic polymer. It is a component of glue and is used mainly as an adhesive for porous materials, particularly for wood, paper, and cloth. While polyvinyl acetate itself is not considered hazardous, it usually contains trace amounts of its precursor, vinyl acetate, which is toxic. (3, 4)

Contaminant Sources

Clean Air Act Chemicals
EAFUS Chemicals
FooDB Chemicals
IARC Carcinogens Group 3
T3DB toxins

Contaminant Type

Ester
Ether
Food Toxin
Glue Component
Household Toxin
Industrial/Workplace Toxin
Lachrymator
Organic Compound
Synthetic Compound

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
Polyvinyl acetic acid	Generator

Chemical Formula

C₆H₁₂O₂

Average Molecular Mass

116.158 g/mol

Monoisotopic Mass

116.084 g/mol

CAS Registry Number

9003-20-7

IUPAC Name

butan-2-yl acetate

Traditional Name

sec-butyl acetate

SMILES

CCC(C)OC(C)=O

InChI Identifier

InChI=1S/C6H12O2/c1-4-5(2)8-6(3)7/h5H,4H2,1-3H3

InChI Key

DCKVNWZUADLDEH-UHFFFAOYSA-N

Chemical Taxonomy

Description

belongs to the class of organic compounds known as carboxylic acid esters. These are carboxylic acid derivatives in which the carbon atom from the carbonyl group is attached to an alkyl or an aryl moiety through an oxygen atom (forming an ester group).

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Carboxylic acid derivatives

Direct Parent

Carboxylic acid esters

Alternative Parents

Substituents

Carboxylic acid ester
Monocarboxylic acid or derivatives
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Carbonyl group
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

Not Available

Biological Properties

Status

Detected and Not Quantified

Origin

Exogenous

Cellular Locations

Actin Filament
Apical Membrane
Basolateral Membrane
Cell junction
Cell surface
Cytoplasm
Cytoskeleton
Cytosol
Endocytic Vesicle
Endosome
Extracellular
Extracellular matrix
Golgi apparatus
Intermediate Filament
Lysosome
Membrane Fraction
Microtubule
Mitochondrion
Nuclear Membrane
Nucleoplasm
Peroxisome
Plasma Membrane
Ribosome
Sarcoplasmic Reticulum
Soluble Fraction
Synaptic Vesicle

Biofluid Locations

Not Available

Tissue Locations

Not Available

Pathways

Name	SMPDB Link	KEGG Link
Apoptosis	Not Available	map04210
Phagosome	Not Available	map04145
Long-term potentiation	Not Available	map04720
Endocytosis	Not Available	map04144
Spliceosome	Not Available	map03040
Proteasome	Not Available	Not Available
Phenothiazines	Not Available	Not Available
Melanogenesis	Not Available	map04916
Aflatoxin Biosynthesis	Not Available	Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Physical Properties

State

Solid

Appearance

White powder.

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Property	Value	Source
Water Solubility	8.89 g/L	ALOGPS
logP	1.97	ALOGPS
logP	1.22	ChemAxon
logS	-1.1	ALOGPS
pKa (Strongest Basic)	-7	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	1	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	26.3 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	31.1 m³·mol⁻¹	ChemAxon
Polarizability	13 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	1	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	Yes	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	View
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	splash10-0a6u-9000000000-70f0500e0a8ad185a938	Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	Not Available	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-066r-9700000000-6d7bd6285e09a53c948c	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-0a4i-9000000000-2d4732fb6d47bddfaccf	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-0a4i-9000000000-4c4b084a298fbbc1ec68	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-01b9-9700000000-c162bd3420dddd9efebf	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-0ab9-9100000000-7400fa5853622667071a	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-0a4i-9000000000-f9199dc19134dc680705	Spectrum

Toxicity Profile

Route of Exposure

Oral (5) ; Inhalation (5) ; Dermal (5)

Mechanism of Toxicity

Polyvinyl acetate usually contains trace amounts of its precursor, vinyl acetate. One of the metabolites of vinyl acetate, acetaldehyde, is a known animal carcinogen. Acetaldehyde can form adducts with DNA, causing damage such as cross-links. (5, 1)

Metabolism

Vinyl acetate may be absorbed following ingestion, inhalation, or dermal exposure, and distributes throughout the body. It is rapidly hydrolyzed by esterases in the blood to acetate and the unstable intermediate, vinyl alcohol. Vinyl alcohol is then rapidly converted to acetaldehyde, which in turn is metabolized to acetate in the liver. This in turn is incorporated into the "2 carbon pool" of normal body metabolism and eventually forms carbon dioxide as the major breakdown product, which is expired. (5)

Toxicity Values

Not Available

Lethal Dose

Not Available

Carcinogenicity (IARC Classification)

3, not classifiable as to its carcinogenicity to humans. (2)

Uses/Sources

Polyvinyl acetate is a component of glue and is used mainly as an adhesive for porous materials, particularly for wood, paper, and cloth. (3)

Minimum Risk Level

Not Available

Health Effects

Vinyl acetate may affect the immune system. It may also be a carcinogen. (5)

Symptoms

Inhalation of vinyl acetate irritates the eyes, nose, and throat. Skin contact causes irritation and blisters. (5)

Treatment

Not Available

Concentrations

Not Available

External Links

DrugBank ID

Not Available

HMDB ID

HMDB0258198

FooDB ID

Not Available

Phenol Explorer ID

Not Available

KNApSAcK ID

Not Available

BiGG ID

Not Available

BioCyc ID

Not Available

METLIN ID

Not Available

PDB ID

Not Available

Wikipedia Link

Polyvinyl acetate

Chemspider ID

7472

ChEBI ID

Not Available

PubChem Compound ID

Not Available

Kegg Compound ID

Not Available

YMDB ID

Not Available

ECMDB ID

Not Available

References

Synthesis Reference

Not Available

MSDS

Not Available

General References

Not Available

Polyvinyl acetate (CHEM002498)

Structure for CHEM002498: Polyvinyl acetate