2,2,3,3,4,4,4-Heptafluorobutyl but-3-enoate (CED0191360)

Record Information

Version

1.0

Creation Date

2026-04-06 05:22:58 UTC

Update Date

2026-08-25 00:43:52 UTC

SynCED ID

CED0191360

Secondary Accession Numbers

CHEM118002

Identification

Common Name

2,2,3,3,4,4,4-Heptafluorobutyl but-3-enoate

Class

Small Molecule

Description

2,2,3,3,4,4,4-Heptafluorobutyl but-3-enoate is an organic compound with the chemical formula C8H7F7O2 and an average molecular weight of 268.13 g/mol. 2,2,3,3,4,4,4-Heptafluorobutyl but-3-enoate belongs to the fatty acid esters, a subclass of fatty acyls within the organic compounds. This substance has been identified in or released from 13 recorded sources across several sectors. In the electrical and electronic equipment sector, it is associated with cell phones, capacitors, wires and cables, batteries, and printed circuit boards, among one other source. It is found in textiles, leather and furnishings, specifically within synthetic textiles as well as carpets and rugs. Within the food, food processing and cookware sector, it is linked to food packaging, while in the healthcare, pharmaceuticals and veterinary products sector, it is associated with medical devices. Additionally, the compound is used as lubricants in both the energy, oil and gas sector and the industrial manufacturing and chemical processing sector. It is also present in one other sector. Recorded routes of human exposure include inhalation, oral ingestion, and touch.

Contaminant Type

PFAS

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₈H₇F₇O₂

Average Molecular Mass

268.131 g/mol

Monoisotopic Mass

268.033 g/mol

CAS Registry Number

17165-56-9

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

FC(F)(F)C(F)(F)C(F)(F)COC(=O)CC=C

InChI Identifier

InChI=1S/C8H7F7O2/c1-2-3-5(16)17-4-6(9,10)7(11,12)8(13,14)15/h2H,1,3-4H2

InChI Key

TXTPUXJYPUSDTQ-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
863.0 Log mg/kg [490:1500]	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	Esterase	A3QR02	Chilo suppressalis	Predicted (SEA)	Prediction Confidence Score 0.174 Applicability Domain 0.174 Low confidence Statistical Significance 0.0028 Supporting Reference Compounds 1 E-value 21.6421
Click to view 3D structure	Cocaine esterase	O00748	Humans	Predicted (SEA)	Prediction Confidence Score 0.17 Applicability Domain 0.182 Low confidence Statistical Significance 0.2596 Supporting Reference Compounds 40 E-value 2021.04
Click to view 3D structure	Liver carboxylesterase	Q29550	Sus scrofa	Predicted (SEA)	Prediction Confidence Score 0.167 Applicability Domain 0.182 Low confidence Statistical Significance 0.1173 Supporting Reference Compounds 20 E-value 913.094
Click to view 3D structure	Acylcarnitine hydrolase	Q91WG0	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.167 Applicability Domain 0.182 Low confidence Statistical Significance 0.0087 Supporting Reference Compounds 2 E-value 67.8067
Click to view 3D structure	Phosphoglycerate kinase	P00560	Saccharomyces cerevisiae S288c	Predicted (SEA)	Prediction Confidence Score 0.167 Applicability Domain 0.167 Low confidence Statistical Significance 7.10e-04 Supporting Reference Compounds 1 E-value 5.52729
Click to view 3D structure	Liver carboxylesterase 1	P23141	Humans	Predicted (SEA)	Prediction Confidence Score 0.165 Applicability Domain 0.171 Low confidence Statistical Significance 0.3526 Supporting Reference Compounds 55 E-value 2745.12
Click to view 3D structure	CG8425-PA [Drosophila melanogaster]	A1ZA98	Drosophila melanogaster	Predicted (SEA)	Prediction Confidence Score 0.164 Applicability Domain 0.182 Low confidence Statistical Significance 0.0096 Supporting Reference Compounds 4 E-value 74.891
Click to view 3D structure	Sphingosine-1-phosphate lyase 1	Q8CHN6	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.164 Applicability Domain 0.164 Low confidence Statistical Significance 0.0059 Supporting Reference Compounds 1 E-value 46.3203
Click to view 3D structure	Inositol hexakisphosphate and diphosphoinositol-pentakisphosphate kinase 2	O43314	Humans	Predicted (SEA)	Prediction Confidence Score 0.164 Applicability Domain 0.164 Low confidence Statistical Significance 0.0027 Supporting Reference Compounds 1 E-value 20.8636
Click to view 3D structure	Inward rectifier potassium channel 2	P35561	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.163 Applicability Domain 0.163 Low confidence Statistical Significance 0.1907 Supporting Reference Compounds 1 E-value 1484.82
Click to view 3D structure	Fatty-acid amide hydrolase 1	O00519	Humans	Predicted (SEA)	Prediction Confidence Score 0.162 Applicability Domain 0.171 Low confidence Statistical Significance 0.8425 Supporting Reference Compounds 106 E-value 6558.49
Click to view 3D structure	Acetylcholinesterase	P22303	Humans	Predicted (SEA)	Prediction Confidence Score 0.162 Applicability Domain 0.18 Low confidence Statistical Significance 0.9581 Supporting Reference Compounds 406 E-value 7458.97
Click to view 3D structure	Juvenile hormone esterase	Q9GPG0	Manduca sexta	Predicted (SEA)	Prediction Confidence Score 0.161 Applicability Domain 0.171 Low confidence Statistical Significance 0.0103 Supporting Reference Compounds 2 E-value 80.1847
Click to view 3D structure	Fatty-acid amide hydrolase 1	P97612	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.153 Applicability Domain 0.171 Low confidence Statistical Significance 0.8427 Supporting Reference Compounds 102 E-value 6560.51
Click to view 3D structure	Protein RecA	P9WHJ3	Mycobacterium tuberculosis	Predicted (SEA)	Prediction Confidence Score 0.152 Applicability Domain 0.161 Low confidence Statistical Significance 0.9448 Supporting Reference Compounds 296 E-value 7355.12
Click to view 3D structure	Cytochrome P450 2C23	P24470	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.152 Applicability Domain 0.152 Low confidence Statistical Significance 0.0112 Supporting Reference Compounds 1 E-value 87.5804
Click to view 3D structure	DNA damage-inducible transcript 3 protein	P35639	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.152 Applicability Domain 0.173 Low confidence Statistical Significance 0.9385 Supporting Reference Compounds 226 E-value 7306.31
Click to view 3D structure	X-box-binding protein 1	P17861	Humans	Predicted (SEA)	Prediction Confidence Score 0.152 Applicability Domain 0.173 Low confidence Statistical Significance 0.9388 Supporting Reference Compounds 227 E-value 7308.8
Click to view 3D structure	Liver carboxylesterase B-1	Q63010	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.151 Applicability Domain 0.152 Low confidence Statistical Significance 0.0112 Supporting Reference Compounds 6 E-value 87.5804
Click to view 3D structure	Sphingosine 1-phosphate receptor 4	O95977	Humans	Predicted (SEA)	Prediction Confidence Score 0.151 Applicability Domain 0.173 Low confidence Statistical Significance 0.9066 Supporting Reference Compounds 117 E-value 7057.73
Click to view 3D structure	Transcriptional enhancer factor TEF-5	Q99594	Humans	Predicted (SEA)	Prediction Confidence Score 0.149 Applicability Domain 0.161 Low confidence Statistical Significance 0.2425 Supporting Reference Compounds 3 E-value 1888.23
Click to view 3D structure	Pyruvate carboxylase	A0A0H3JRU9	Staphylococcus aureus (strain Mu50 / ATCC 700699)	Predicted (SEA)	Prediction Confidence Score 0.148 Applicability Domain 0.148 Low confidence Statistical Significance 0.2167 Supporting Reference Compounds 1 E-value 1686.99
Click to view 3D structure	Succinate-semialdehyde dehydrogenase, mitochondrial	P51649	Humans	Predicted (SEA)	Prediction Confidence Score 0.146 Applicability Domain 0.146 Low confidence Statistical Significance 0.0315 Supporting Reference Compounds 1 E-value 245.381
Click to view 3D structure	Acetylpolyamine amidohydrolase	Q48935	Mycoplana ramosa	Predicted (SEA)	Prediction Confidence Score 0.146 Applicability Domain 0.146 Low confidence Statistical Significance 0.0098 Supporting Reference Compounds 1 E-value 76.6815
Click to view 3D structure	Carbonic anhydrase 14	Q9ULX7	Humans	Predicted (SEA)	Prediction Confidence Score 0.144 Applicability Domain 0.167 Low confidence Statistical Significance 0.9117 Supporting Reference Compounds 172 E-value 7097.51