Valeryl chloride, 5-chloro- (CED0118038)

Record Information

Version

1.0

Creation Date

2026-03-27 01:14:57 UTC

Update Date

2026-08-23 01:32:04 UTC

Accession Number

CHEM056919

Identification

Common Name

Valeryl chloride, 5-chloro-

Class

Small Molecule

Description

Valeryl chloride, 5-chloro- is an organohalogen compound with the formula C5H8Cl2O1 and an average molecular weight of 155.02 g/mol. Valeryl chloride, 5-chloro- belongs to the acyl chlorides, a subclass of acyl halides within the organic compounds. This chemical has been identified in one recorded source, which is food, food processing and cookware, specifically within fermentation processes for beer.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
5-CVC CPD	MeSH

Chemical Formula

C₅H₈Cl₂O₁

Average Molecular Mass

155.020 g/mol

Monoisotopic Mass

153.995 g/mol

CAS Registry Number

1575-61-7

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

ClCCCCC(Cl)=O

InChI Identifier

InChI=1S/C5H8Cl2O/c6-4-2-1-3-5(7)8/h1-4H2

InChI Key

SVNNWKWHLOJLOK-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as acyl chlorides. These are organic compounds containing the functional group -CO-Cl.

Kingdom

Organic compounds

Super Class

Organohalogen compounds

Class

Acyl halides

Sub Class

Acyl chlorides

Direct Parent

Acyl chlorides

Alternative Parents

Substituents

Acyl chloride
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Organochloride
Carbonyl group
Alkyl halide
Alkyl chloride
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

Not Available

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

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

Predicted Properties

Not Available

Spectra

Not Available

Toxicity Profile

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Toxicity Values

Toxicity Value	Unit	Value Range	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Reference
713.0	Log mg/kg	[400:1300]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
544	Fermentation Processes For Beer	Food, food processing & cookware	Not Available
652	Ropes	Textiles, leather & furnishings	Not Available

Pathways

0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Tyrosine-protein phosphatase non-receptor type 1	P18031	Humans	Predicted (SEA)	447.867
Click to view 3D structure	Peroxisome proliferator-activated receptor alpha	Q07869	Humans	Predicted (SEA)	613.685
Click to view 3D structure	Sodium- and chloride-dependent GABA transporter 2	P31646	Rattus norvegicus	Predicted (SEA)	4.82665
Click to view 3D structure	Histone deacetylase 11	Q96DB2	Humans	Predicted (SEA)	990.164
Click to view 3D structure	Transient receptor potential cation channel subfamily V member 2	Q9WUD2	Rattus norvegicus	Predicted (SEA)	50.6798
Click to view 3D structure	Peroxisome proliferator-activated receptor delta	Q03181	Humans	Predicted (SEA)	692.78
Click to view 3D structure	CAI-1 autoinducer sensor kinase/phosphatase CqsS	Q9KM66	Vibrio cholerae serotype O1 (strain ATCC 39315 / El Tor Inaba N16961)	Predicted (SEA)	23.0434
Click to view 3D structure	Peroxisome proliferator-activated receptor gamma	P37231	Humans	Predicted (SEA)	2125.83
Click to view 3D structure	Fatty-acid amide hydrolase 1	O00519	Humans	Predicted (SEA)	1894.07
Click to view 3D structure	Histone deacetylase 2	Q92769	Humans	Predicted (SEA)	3943.3
Click to view 3D structure	Histone deacetylase 3	O15379	Humans	Predicted (SEA)	3583.17
Click to view 3D structure	Free fatty acid receptor 1	O14842	Humans	Predicted (SEA)	1202.38
Click to view 3D structure	Protein deacetylase HDAC6	Q9UBN7	Humans	Predicted (SEA)	5406.4
Click to view 3D structure	Histone deacetylase 1	Q13547	Humans	Predicted (SEA)	5140.7
Click to view 3D structure	Histone deacetylase 5	Q9UQL6	Humans	Predicted (SEA)	2976.41
Click to view 3D structure	Histone deacetylase 8	Q9BY41	Humans	Predicted (SEA)	4401.67
Click to view 3D structure	Free fatty acid receptor 4	Q5NUL3	Humans	Predicted (SEA)	2298.03
Click to view 3D structure	G-protein coupled receptor 84	Q9NQS5	Humans	Predicted (SEA)	120.822
Click to view 3D structure	Cannabinoid receptor 1	P20272	Rattus norvegicus	Predicted (SEA)	1342.43
Click to view 3D structure	Cytochrome P450 2C23	P24470	Rattus norvegicus	Predicted (SEA)	18.4503
Click to view 3D structure	3-ketoacyl-CoA synthase 20	Q9FG87	Arabidopsis thaliana	Predicted (SEA)	1.47914
Click to view 3D structure	Liver carboxylesterase 1	P23141	Humans	Predicted (SEA)	820.609
Click to view 3D structure	Fatty acid-binding protein, adipocyte	P15090	Humans	Predicted (SEA)	462.736
Click to view 3D structure	Cannabinoid receptor 1	P21554	Humans	Predicted (SEA)	4836.54
Click to view 3D structure	Phospho-2-dehydro-3-deoxyheptonate aldolase	C3TIE2	Escherichia coli	Predicted (SEA)	5.0602