Showing Compound Pyroligneous acid (FDB019725)

Record Information

Version

1.0

Creation date

2010-04-08 22:14:33 UTC

Update date

2018-05-29 01:43:20 UTC

Primary ID

FDB019725

Secondary Accession Numbers

FDB008299

Chemical Information

FooDB Name

Pyroligneous acid

Description

It is used for smoking meats and fish Pyroligneous acid, also called wood vinegar, is a dark liquid produced through the natural act of carbonization, which occurs when wood is heated in an airless container during charcoal production. A volatile, complex combination obtained by the destructive distillation of wood. It may contain acetic acid, acetone, furfural, methanol and various tars. (SciFinder)

CAS Number

8030-97-5

Structure

MOL SDF PDB SMILES InChI

Synonyms

Synonym	Source
Acide acetique	ChEBI
AcOH	ChEBI
CH3-COOH	ChEBI
CH3CO2H	ChEBI
e 260	ChEBI
e-260	ChEBI
e260	ChEBI
Essigsaeure	ChEBI
Ethanoic acid	ChEBI
Ethoic acid	ChEBI
Ethylic acid	ChEBI
HOAc	ChEBI
INS no. 260	ChEBI
MeCO2h	ChEBI
MeCOOH	ChEBI
Methanecarboxylic acid	ChEBI
Glacial acetic acid	Kegg
Acetasol	Kegg
Ethanoate	Generator
Ethoate	Generator
Ethylate	Generator
Methanecarboxylate	Generator
Glacial acetate	Generator
Acetate	Generator
Kyselina octova	HMDB
Vinegar	HMDB
Vinegar acid	HMDB
Acid, acetic	HMDB
Acetic acid glacial	HMDB
Acid glacial, acetic	HMDB
Acid, glacial acetic	HMDB
Acetic acid, glacial	HMDB
Glacial, acetic acid	HMDB
FEMA 2967	db_source
Liquid smoke	db_source
Pyroligneous acids	manual
Pyroligneous vinegar	db_source
Wood tar	db_source
Wood vinegar	db_source

Predicted Properties

Not Available

Chemical Formula

C2H4O2

IUPAC name

InChI Identifier

InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)

InChI Key

QTBSBXVTEAMEQO-UHFFFAOYSA-N

Isomeric SMILES

CC(O)=O

Average Molecular Weight

60.052

Monoisotopic Molecular Weight

60.021129372

Classification

Description

Belongs to the class of organic compounds known as carboxylic acids. Carboxylic acids are compounds containing a carboxylic acid group with the formula -C(=O)OH.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Carboxylic acids

Direct Parent

Carboxylic acids

Alternative Parents

Substituents

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

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

monocarboxylic acid (CHEBI:15366 )
Straight chain fatty acids (C00033 )
Saturated fatty acids (C00033 )
Straight chain fatty acids (LMFA01010002 )

Ontology

Physiological effect

Organoleptic effect:

Odor:

Plastic

Health effect:

Health condition:

Multiple sclerosis

Cancer:

Lung cancer

Disposition

Route of exposure:

Parenteral:

Vaginal

Enteral:

Ingestion

Source:

Biological location:

Organ and components:

Biofluid and excreta:

Subcellular:

Cell and elements:

Extracellular

Process

Naturally occurring process:

Biological process:

Biochemical pathway:

Asthma

Role

Environmental role:

Air pollutant

Industrial application:

Food and nutrition:

Acidity regulator

Household products:

Antimicrobial agent:

Antibacterial

Pharmaceutical industry:

Pharmaceutical

Biological role:

Physico-Chemical Properties - Experimental

Property	Value	Reference
Physical state	Not Available
Physical Description	Not Available
Mass Composition	Not Available
Melting Point	Not Available
Boiling Point	Not Available
Experimental Water Solubility	Not Available
Experimental logP	Not Available
Experimental pKa	Not Available
Isoelectric point	Not Available
Charge	Not Available
Optical Rotation	Not Available
Spectroscopic UV Data	Not Available
Density	Not Available
Refractive Index	Not Available

Spectra

EI-MS/GC-MS

Not Available

MS/MS

Not Available

NMR

Not Available

External Links

ChemSpider ID

Not Available

ChEMBL ID

Not Available

KEGG Compound ID

Not Available

Pubchem Compound ID

Not Available

Pubchem Substance ID

Not Available

ChEBI ID

Not Available

Phenol-Explorer ID

Not Available

DrugBank ID

Not Available

HMDB ID

Not Available

CRC / DFC (Dictionary of Food Compounds) ID

MCQ60-H:MCQ60-H

EAFUS ID

3264

Dr. Duke ID

Not Available

BIGG ID

Not Available

KNApSAcK ID

Not Available

HET ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

Flavornet ID

Not Available

GoodScent ID

rw1034241

SuperScent ID

Not Available

Wikipedia ID

Pyroligneous_acid

Phenol-Explorer Metabolite ID

Not Available

Duplicate IDS

Not Available

Old DFC IDS

Not Available

Associated Foods

Food	Content Range	Average	Reference
Food			Reference

Biological Effects and Interactions

Health Effects / Bioactivities

Not Available

Enzymes

Not Available

Pathways

Not Available

Metabolism

Not Available

Biosynthesis

Not Available

Organoleptic Properties

Flavours

Flavor	Citations
smoke	The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
woody	The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
phenolic	The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
bacon	The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.