5-Methylhex-1-ene (CED0044333)

Record Information

Version

1.0

Creation Date

2026-04-03 23:06:16 UTC

Update Date

2026-08-23 20:41:00 UTC

Accession Number

CHEM068956

Identification

Common Name

5-Methylhex-1-ene

Class

Small Molecule

Description

5-Methylhex-1-ene is an organic compound with the formula C7H14 and an average molecular weight of 98.19 g/mol. 5-Methylhex-1-ene belongs to the unsaturated aliphatic hydrocarbons, a subclass of unsaturated hydrocarbons within the organic compounds. This compound is found in or released from four recorded sources. Within the category of food, food processing, and cookware, it is associated with processing meats and fermentation processes for beer. Additionally, it is released from electrical and electronic equipment, specifically radio transmission systems and power cables.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₇H₁₄

Average Molecular Mass

98.189 g/mol

Monoisotopic Mass

98.110 g/mol

CAS Registry Number

3524-73-0

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

CC(C)CCC=C

InChI Identifier

InChI=1S/C7H14/c1-4-5-6-7(2)3/h4,7H,1,5-6H2,2-3H3

InChI Key

JIUFYGIESXPUPL-UHFFFAOYSA-N

Chemical Taxonomy

Classification

Not classified

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
2368.0	Log mg/kg	[1300:4200]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
233	Brushes	Personal care & cosmetics	Not Available
529	Power Cables	Electrical & Electronic Equipment	Not Available
530	Radio Transmission Systems	Electrical & Electronic Equipment	Not Available
544	Fermentation Processes For Beer	Food, food processing & cookware	Not Available
552	Processing Meats	Food, food processing & cookware	Not Available
619	Manicure Pedicure	Personal care & cosmetics	Not Available
634	Buckles	Textiles, leather & furnishings	Not Available
638	Decorating Textiles	Textiles, leather & furnishings	Not Available
643	Headwear	Textiles, leather & furnishings	Not Available
644	Hook Or Eye Fasteners	Textiles, leather & furnishings	Not Available
655	Slide Fasteners	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	Seed linoleate 9S-lipoxygenase	P24095	Glycine max	Predicted (SEA)	1.47914
Click to view 3D structure	Leucine aminopeptidase	Q29571	Sus scrofa	Predicted (SEA)	2.02408
Click to view 3D structure	Hydrolase, alpha/beta hydrolase fold family	O69638	Mycobacterium tuberculosis	Predicted (SEA)	222.493
Click to view 3D structure	Aminopeptidase N	P15145	Sus scrofa	Predicted (SEA)	1539.7
Click to view 3D structure	Mitochondrial 2-oxodicarboxylate carrier	Q9BQT8	Humans	Predicted (SEA)	0.155698
Click to view 3D structure	Macrophage scavenger receptor types I and II	P21757	Humans	Predicted (SEA)	13.5458
Click to view 3D structure	Aminopeptidase N	P15144	Humans	Predicted (SEA)	2710.63
Click to view 3D structure	HTH-type quorum-sensing regulator RhlR	P54292	Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG12228)	Predicted (SEA)	264.142
Click to view 3D structure	Transient receptor potential cation channel subfamily A member 1	O75762	Humans	Predicted (SEA)	6156.94
Click to view 3D structure	Cannabinoid receptor 2	P47936	Mus musculus	Predicted (SEA)	4044.97
Click to view 3D structure	Sphingosine-1-phosphate lyase 1	Q8CHN6	Rattus norvegicus	Predicted (SEA)	57.6863
Click to view 3D structure	Mu-type opioid receptor	P42866	Mus musculus	Predicted (SEA)	5041.05
Click to view 3D structure	Cannabinoid receptor 1	P47746	Mus musculus	Predicted (SEA)	4076.65
Click to view 3D structure	Calpain-1 catalytic subunit	P07384	Humans	Predicted (SEA)	4414.21
Click to view 3D structure	Cathepsin B	P07858	Humans	Predicted (SEA)	7134.57
Click to view 3D structure	Aspartyl aminopeptidase	Q9ULA0	Humans	Predicted (SEA)	939.407
Click to view 3D structure	Procathepsin L	P07711	Humans	Predicted (SEA)	7414.98
Click to view 3D structure	Aminopeptidase B	O09175	Rattus norvegicus	Predicted (SEA)	1272.45
Click to view 3D structure	Cannabinoid receptor 2	P34972	Humans	Predicted (SEA)	7585.55
Click to view 3D structure	Cytosol aminopeptidase	P28838	Humans	Predicted (SEA)	2881.51
Click to view 3D structure	72 kDa type IV collagenase	P08253	Humans	Predicted (SEA)	7658.73
Click to view 3D structure	Lanosterol synthase	Q04782	Yeast	Predicted (SEA)	8.71911
Click to view 3D structure	Delta-type opioid receptor	P32300	Mus musculus	Predicted (SEA)	6524.54
Click to view 3D structure	Peroxisome proliferator-activated receptor gamma	P37231	Humans	Predicted (SEA)	7561.03
Click to view 3D structure	Lanosterol synthase	P48449	Humans	Predicted (SEA)	1022.16