Hepta-1,6-diene (CED0012430)

Record Information

Version

1.0

Creation Date

2026-08-23 18:29:24 UTC

Update Date

2026-08-23 18:29:24 UTC

Accession Number

CHEM237517

Identification

Common Name

Hepta-1,6-diene

Class

Small Molecule

Description

Hepta-1,6-diene is an organic compound with the chemical formula C7H12 and an average molecular weight of 96.17 g/mol. Hepta-1,6-diene belongs to the olefins, 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 linked to electrical and electronic equipment, specifically power cables and fixed capacitors and their manufacture.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₇H₁₂

Average Molecular Mass

96.170 g/mol

Monoisotopic Mass

96.094 g/mol

CAS Registry Number

3070-53-9

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C7H12/c1-3-5-7-6-4-2/h3-4H,1-2,5-7H2

InChI Key

GEAWFZNTIFJMHR-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
2428.0	Log mg/kg	[1400:4300]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
521	Fixed Capacitors And Their Manufacture	Electrical & Electronic Equipment	Not Available
529	Power Cables	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
609	Aftershave	Personal care & cosmetics	Not Available
613	Depilatories	Personal care & cosmetics	Not Available
630	Toys	Recreation & sports surfaces	Not Available
642	Footwear	Textiles, leather & furnishings	Not Available
662	Yarns Or Threads	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)	0.0778492
Click to view 3D structure	Mitochondrial 2-oxodicarboxylate carrier	Q9BQT8	Humans	Predicted (SEA)	0.155698
Click to view 3D structure	Transient receptor potential cation channel subfamily A member 1	O75762	Humans	Predicted (SEA)	2379.7
Click to view 3D structure	Peroxisome proliferator-activated receptor gamma	P37231	Humans	Predicted (SEA)	7001.45
Click to view 3D structure	Cannabinoid receptor 2	P34972	Humans	Predicted (SEA)	7229.7
Click to view 3D structure	Cannabinoid receptor 1	P21554	Humans	Predicted (SEA)	7462.31
Click to view 3D structure	Fatty acid synthase	P12276	Gallus gallus	Predicted (SEA)	4.20386
Click to view 3D structure	Peroxisomal N(1)-acetyl-spermine/spermidine oxidase	Q8C0L6	Mus musculus	Predicted (SEA)	2.41333
Click to view 3D structure	Succinate-semialdehyde dehydrogenase, mitochondrial	P51649	Humans	Predicted (SEA)	186.215
Click to view 3D structure	Mu-type opioid receptor	P42866	Mus musculus	Predicted (SEA)	5928.69
Click to view 3D structure	Dihydropyrimidine dehydrogenase [NADP(+)]	Q12882	Humans	Predicted (SEA)	80.4182
Click to view 3D structure	Transient receptor potential cation channel subfamily A member 1	Q6RI86	Rattus norvegicus	Predicted (SEA)	6660.7
Click to view 3D structure	Prostaglandin G/H synthase 2	P79208	Ovis aries	Predicted (SEA)	6086.49
Click to view 3D structure	Sigma non-opioid intracellular receptor 1	Q99720	Humans	Predicted (SEA)	7752.3
Click to view 3D structure	Polyunsaturated fatty acid 5-lipoxygenase	P09917	Humans	Predicted (SEA)	7614.82
Click to view 3D structure	Peroxisome proliferator-activated receptor alpha	Q07869	Humans	Predicted (SEA)	7557.21
Click to view 3D structure	Peroxisome proliferator-activated receptor delta	Q03181	Humans	Predicted (SEA)	7497.97
Click to view 3D structure	Delta-type opioid receptor	P32300	Mus musculus	Predicted (SEA)	7139.86
Click to view 3D structure	Mu-type opioid receptor	P33535	Rattus norvegicus	Predicted (SEA)	7530.04
Click to view 3D structure	Kappa-type opioid receptor	P41145	Humans	Predicted (SEA)	7773.56
Click to view 3D structure	Transient receptor potential cation channel subfamily V member 2	Q9WUD2	Rattus norvegicus	Predicted (SEA)	1793.33
Click to view 3D structure	D(2) dopamine receptor	P14416	Humans	Predicted (SEA)	7776.51
Click to view 3D structure	Cannabinoid receptor 1	P47746	Mus musculus	Predicted (SEA)	6948.98
Click to view 3D structure	Cytochrome P450 2C23	P24470	Rattus norvegicus	Predicted (SEA)	314.822
Click to view 3D structure	Estrogen receptor	P49884	Bos taurus	Predicted (SEA)	151.105