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Octanoic acid, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-, ethyl ester

HCID 76555
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Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
3108-24-5
Standard SMILES
CCOC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIKey
JTOFFHFAQBLPTM-UHFFFAOYSA-N
Molecular formula
C10H5F15O2
Average molar mass
442.12 g/mol
Monoisotopic mass
442.0050018

Names & identifiers

Preferred name
Octanoic acid, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-, ethyl ester
IUPAC
ethyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoate
English name
ETHYL PERFLUOROOCTANOATE
Molecular formula
C10H5F15O2
Molecular weight
442.12

Names & synonyms

Ethyl perfluorooctanoate3108-24-5ethyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoateEthyl perfluorocaprylateOctanoic acid, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-, ethyl esterEINECS 221-468-4DTXSID5062849Octanoic acid, pentadecafluoro-, ethyl esterRefChem:855974DTXCID6038297221-468-4MFCD00018063
Show more names
Ethylperfluorooctanoate97%Ethyl perfluorooctanoate 97%Perfluorooctanoic acid ethyl esterETHYL PERFLUOROCAPRYLATE 95% (GC)pentadecafluoro-octanoicaciethylesterPentadecafluorooctanoic acid ethyl ester
Ethyl pentadecafluorooctanoateEthyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluorooctanoate; Ethyl Pentadecafluorooctanoate; Ethyl Ester Pentadecafluorooctanoic Acid;Ethyl perfluorooctanonateSCHEMBL197278CHEMBL172645Perfluorooctanoic acid-ethyl esterMSK159437AKOS007930416

Database identifiers

CAS
3108-24-5
PubChem CID
76555
DTXSID
DTXSID5062849
ChEMBL
CHEMBL172645
EC Number
221-468-4
Nikkaji
J217.274G

Properties

Computed structural properties

XLogP
5.5
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
17
Rotatable bonds
8
Heavy atoms
27
Formal charge
0
Complexity
561

Experimental & physicochemical properties

PFAS · 4 items

PFAS -> Other/unspecified

PFAS -> Other/unspecified

PFAS -> OECD Category

PFAS -> PF carboxylic acid ester

Physicochemical properties

Boiling point
167 °C · 167 °C
Density
1 · 1,626 g/cm3
refractive index
1.3118 · 1.3118
Flash point
167 · 167-168°C
storage temp.
2 · Storage temp. 2-8°C
solubility
Chloroform (Slightly), Ethyl Acetate (Slightly)
form
Oil
color
Colourless
BRN
1810008 · 1810008
CAS DataBase Reference
3108 · 3108-24-5(CAS DataBase Reference)
EWG's Food Scores
1 · 1
EPA Substance Registry System
Ethyl perfluorooctanoate (3108-24-5)
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
315 · H315-H319-H335
Precautionary statements
264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Hazard Codes
F
Risk Statements
36 · 36/37/38
Safety Statements
26 · 26-36/37/39-24/25
Hazard Note
Flammable
TSCA
TSCA listed
HS Code
29159000 · 29159000

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 4 items

Danger

H302+H332 (33.3%): Harmful if swallowed or if inhaled [Warning Acute toxicity, oral; acute toxicity, inhalation]

P203, P260, P261, P263, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 2 items

S - indicates a substance that is identified in a final Significant New Use Rule.

Substance: Ethyl perfluorooctanoate

Hazard Classes and CategoriesAcute Tox. 4 (33.3%)

Safety data

tsca
TSCA listed
hs_code
29159000
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
F
hazard_note
Flammable
safety_code
26-36/37/39-24/25
Hazard statements
H315-H319-H335
Precautionary statements
P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362

Chemistry & industry

Uses & manufacturing

Use Classification · 2 items

PFAS (per- and polyfluoroalkyl substances) -> OECD Category

PFAS -> PF carboxylic acid ester

General Manufacturing InformationOctanoic acid, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-, ethyl ester: INACTIVE

Applications

UsesEthyl Perfluorooctanoate is used in preparation of antifouling anti-icing Hydrophobic smooth cloth filled with lubricant.

Upstream & downstream products

Upstream raw materials

EthanolIodoethaneN,N-Dimethyformamide diethy acetalPentadecafluorooctanoic acid

Downstream products

1H,1H-PENTADECAFLUORO-1-OCTANOL

Suppliers32 total

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
艾吉析科技(上海)有限公司17717235263 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
常州新氟化学有限公司0519-85528066; 13275212658 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎(中国)化学有限公司400-6106006 · [email protected]
安耐吉化学&3A(安徽泽升科技股份有限公司)400-0056266 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
陕西麟邦实业有限公司17709134430 · [email protected]
上海湄水化工科技有限公司021-60549325 18616193163
陕西缔都医药化工有限公司+86-029-81138252 +86-173 9270 1263 · [email protected]
上海鑫圭生物科技有限公司15121041756 · [email protected]
韶远科技(上海)有限公司4000665055 · [email protected]
艾吉析科技(上海)有限公司17717235263 17717235263 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
大连金点生物科技有限公司0411-0411-00000000 13644282108 · [email protected]
上海泰坦科技股份有限公司13023226327 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
北京迈瑞达科技有限公司010-82387566 18001021521 · [email protected]
湖南秉航新材料有限公司85521272 18932438858 · [email protected]
Accela ChemBio Inc.+1-858-6993322 +86-18019713315 · [email protected]
中科双航化学(大连)有限公司+86-411-66858498 13941194417 · [email protected]
Aladdin Scientific[email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
上海有集材料有限公司13052376889 13681663468 · [email protected]
上海安谱实验科技股份有限公司18502138905 · [email protected]
上海研邦医药科技有限公司15618536883 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]

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Compound notes

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