6,6,7,7,8,8,8-Heptafluoro-2-methylocta-3,5-dione (CED0191666)

Record Information

Version

1.0

Creation Date

2026-04-05 04:06:46 UTC

Update Date

2026-08-25 23:12:10 UTC

SynCED ID

CED0191666

Secondary Accession Numbers

CHEM092147

Identification

Common Name

6,6,7,7,8,8,8-Heptafluoro-2-methylocta-3,5-dione

Class

Small Molecule

Description

6,6,7,7,8,8,8-Heptafluoro-2-methylocta-3,5-dione is an organic compound with the formula C9H9F7O2 and an average molecular weight of 282.16 g/mol. 6,6,7,7,8,8,8-Heptafluoro-2-methylocta-3,5-dione belongs to the carbonyl compounds, a subclass of organooxygen compounds within the organic compounds. This substance is found in or released from 13 recorded sources across several sectors. Within electrical and electronic equipment, it is associated with capacitors, cell phones, batteries, printed circuit boards, wires and cables, and one additional source. It is also found in food packaging under the food, food processing and cookware sector, as well as medical devices within healthcare, pharmaceuticals and veterinary products. In the textiles, leather and furnishings sector, it is present in synthetic textiles and carpets and rugs. Furthermore, it is used as lubricants in both industrial manufacturing and chemical processing as well as in the energy, oil and gas sectors. One additional sector is also recorded. Recorded exposure routes for this compound include inhalation, oral, and touch.

Contaminant Type

PFAS

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₉H₉F₇O₂

Average Molecular Mass

282.158 g/mol

Monoisotopic Mass

282.049 g/mol

CAS Registry Number

40002-62-8

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

CC(C)C(=O)CC(=O)C(F)(F)C(F)(F)C(F)(F)F

InChI Identifier

InChI=1/C9H9F7O2/c1-4(2)5(17)3-6(18)7(10,11)8(12,13)9(14,15)16/h4H,3H2,1-2H3

InChI Key

SRYIDYXKUUXFNI-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

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
1130.0 Log mg/kg [640:2000]	Rat	LD50	oral	predicted	Not Available	Not Available

Toxicity / Toxin Class

Not Available

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Health Effects

Health Effect	Relationship	Direction	Description	Reference

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000007	Pesticides?Pesticides are synthetic chemicals designed to prevent, destroy, or control pests that threaten crops and agricultural productivity.	Agriculture & land management	Not Available
CEDs000120	Wires and cables?Wires and cables are integral components in the transmission of electrical power and signals.	Electrical & Electronic Equipment	Not Available
CEDs000121	Printed circuit boards?Printed circuit boards (PCBs) are essential components in the manufacturing of electronic devices, serving as the backbone for electrical connections and circuit pathways.	Electrical & Electronic Equipment	Not Available
CEDs000125	Batteries?Batteries are devices that store and release electrical energy through electrochemical reactions.	Electrical & Electronic Equipment	Not Available
CEDs000130	Semiconductors?Semiconductors are materials that possess electrical conductivity between that of conductors and insulators, making them essential for various electronic applications, including transistors, diodes, and integrated circuits.	Electrical & Electronic Equipment	Not Available
CEDs000138	Lubricants?Lubricants are synthetic or petroleum-derived substances used to reduce friction between surfaces in machinery and equipment, enhancing operational efficiency and longevity.	Energy, oil & gas	Not Available
CEDs000147	Food packaging?Food packaging often utilizes synthetic chemicals, such as plastics and coatings, to enhance durability, moisture resistance, and shelf life.	Food, food processing & cookware	Not Available
CEDs000174	Lubricants?Lubricants are synthetic or petroleum-based substances used to reduce friction and wear between moving parts in machinery and equipment.	Industrial manufacturing & chemical processing	Not Available
CEDs000234	Medical devices?Medical devices often incorporate synthetic chemicals in their manufacturing processes, which can contribute to contamination in healthcare settings.	Healthcare, pharmaceuticals & veterinary products	Not Available
CEDs000451	Carpets and Rugs?Carpets and rugs are commonly manufactured using synthetic fibers such as nylon, polyester, and polypropylene, which can be derived from petrochemical sources.	Textiles, leather & furnishings	Not Available
CEDs000454	Synthetic textiles?Synthetic textiles are materials derived from man-made fibers, such as polyester, nylon, and acrylic, which are produced through chemical processes involving petrochemicals.	Textiles, leather & furnishings	Not Available
CEDs000490		Personal care & cosmetics	Not Available
CEDs000492	Cell phones?Cell phones contain a variety of synthetic chemicals and materials, including plastics, metals, and glass, which can contribute to environmental contamination.	Electrical & Electronic Equipment	Not Available
CEDs000493	Capacitors?Capacitors are electronic components that store and release electrical energy, often using dielectric materials that can include synthetic chemicals.	Electrical & Electronic Equipment	Not Available

Pathways

0 pathwaysPathway Source: PathBank

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	Cathepsin S	P25774	Humans	Predicted (SEA)	Prediction Confidence Score 0.2 Applicability Domain 0.222 Low confidence Statistical Significance 0.3804 Supporting Reference Compounds 141 E-value 2961.7
Click to view 3D structure	Cathepsin K	P43235	Humans	Predicted (SEA)	Prediction Confidence Score 0.2 Applicability Domain 0.222 Low confidence Statistical Significance 0.337 Supporting Reference Compounds 129 E-value 2623.67
Click to view 3D structure	Histone deacetylase-like amidohydrolase	Q70I53	Alcaligenes sp. (strain DSM 11172)	Predicted (SEA)	Prediction Confidence Score 0.196 Applicability Domain 0.216 Low confidence Statistical Significance 0.0302 Supporting Reference Compounds 11 E-value 234.793
Click to view 3D structure	Acetylpolyamine amidohydrolase	Q48935	Mycoplana ramosa	Predicted (SEA)	Prediction Confidence Score 0.238 Applicability Domain 0.238 Low confidence Statistical Significance 4.80e-04 Supporting Reference Compounds 1 E-value 3.73676
Click to view 3D structure	Juvenile hormone esterase	Q9GPG0	Manduca sexta	Predicted (SEA)	Prediction Confidence Score 0.235 Applicability Domain 0.25 Low confidence Statistical Significance 0.0016 Supporting Reference Compounds 2 E-value 12.4559
Click to view 3D structure	Liver carboxylesterase 1	P23141	Humans	Predicted (SEA)	Prediction Confidence Score 0.234 Applicability Domain 0.25 Low confidence Statistical Significance 0.0234 Supporting Reference Compounds 55 E-value 182.401
Click to view 3D structure	Cocaine esterase	O00748	Humans	Predicted (SEA)	Prediction Confidence Score 0.233 Applicability Domain 0.25 Low confidence Statistical Significance 0.0106 Supporting Reference Compounds 40 E-value 82.2866
Click to view 3D structure	Fatty-acid amide hydrolase 1	O00519	Humans	Predicted (SEA)	Prediction Confidence Score 0.232 Applicability Domain 0.25 Low confidence Statistical Significance 0.1457 Supporting Reference Compounds 106 E-value 1133.95
Click to view 3D structure	Liver carboxylesterase	Q29550	Sus scrofa	Predicted (SEA)	Prediction Confidence Score 0.229 Applicability Domain 0.25 Low confidence Statistical Significance 0.0046 Supporting Reference Compounds 20 E-value 35.6549
Click to view 3D structure	Acylcarnitine hydrolase	Q91WG0	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.222 Applicability Domain 0.225 Low confidence Statistical Significance 0.0018 Supporting Reference Compounds 2 E-value 14.4021
Click to view 3D structure	CG8425-PA [Drosophila melanogaster]	A1ZA98	Drosophila melanogaster	Predicted (SEA)	Prediction Confidence Score 0.221 Applicability Domain 0.25 Low confidence Statistical Significance 0.0022 Supporting Reference Compounds 4 E-value 17.2047
Click to view 3D structure	Liver carboxylesterase B-1	Q63010	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.217 Applicability Domain 0.22 Low confidence Statistical Significance 0.0011 Supporting Reference Compounds 6 E-value 8.95266
Click to view 3D structure	Esterase	A3QR02	Chilo suppressalis	Predicted (SEA)	Prediction Confidence Score 0.214 Applicability Domain 0.214 Low confidence Statistical Significance 0.0013 Supporting Reference Compounds 1 E-value 10.1982
Click to view 3D structure	72 kDa type IV collagenase	P08253	Humans	Predicted (SEA)	Prediction Confidence Score 0.212 Applicability Domain 0.264 Low confidence Statistical Significance 0.4629 Supporting Reference Compounds 400 E-value 3603.87
Click to view 3D structure	Phosphoglycerate kinase	P00560	Saccharomyces cerevisiae S288c	Predicted (SEA)	Prediction Confidence Score 0.211 Applicability Domain 0.211 Low confidence Statistical Significance 2.10e-04 Supporting Reference Compounds 1 E-value 1.63483
Click to view 3D structure	Interstitial collagenase	P03956	Humans	Predicted (SEA)	Prediction Confidence Score 0.208 Applicability Domain 0.264 Low confidence Statistical Significance 0.4175 Supporting Reference Compounds 258 E-value 3250.59
Click to view 3D structure	Matrix metalloproteinase-9	P14780	Humans	Predicted (SEA)	Prediction Confidence Score 0.208 Applicability Domain 0.264 Low confidence Statistical Significance 0.4416 Supporting Reference Compounds 292 E-value 3438.13
Click to view 3D structure	Procathepsin L	P07711	Humans	Predicted (SEA)	Prediction Confidence Score 0.207 Applicability Domain 0.222 Low confidence Statistical Significance 0.3003 Supporting Reference Compounds 167 E-value 2337.89
Click to view 3D structure	Gastricsin	P04073	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.207 Applicability Domain 0.211 Low confidence Statistical Significance 0.0068 Supporting Reference Compounds 2 E-value 53.2489
Click to view 3D structure	Cathepsin B	P07858	Humans	Predicted (SEA)	Prediction Confidence Score 0.206 Applicability Domain 0.222 Low confidence Statistical Significance 0.3248 Supporting Reference Compounds 173 E-value 2528.46
Click to view 3D structure	Pepsin A	P00791	Sus scrofa	Predicted (SEA)	Prediction Confidence Score 0.205 Applicability Domain 0.212 Low confidence Statistical Significance 0.0571 Supporting Reference Compounds 22 E-value 444.286
Click to view 3D structure	Cathepsin D	P80209	Bos taurus	Predicted (SEA)	Prediction Confidence Score 0.205 Applicability Domain 0.212 Low confidence Statistical Significance 0.0452 Supporting Reference Compounds 17 E-value 351.956
Click to view 3D structure	Neutrophil collagenase	P22894	Humans	Predicted (SEA)	Prediction Confidence Score 0.204 Applicability Domain 0.264 Low confidence Statistical Significance 0.3406 Supporting Reference Compounds 176 E-value 2651.23
Click to view 3D structure	Excitatory amino acid transporter 3	P51907	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.2 Applicability Domain 0.2 Low confidence Statistical Significance 0.0016 Supporting Reference Compounds 1 E-value 12.1445
Click to view 3D structure	Inward rectifier potassium channel 2	P35561	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.2 Applicability Domain 0.2 Low confidence Statistical Significance 0.0697 Supporting Reference Compounds 1 E-value 542.298