Basic information
- CAS
424-40-8- Standard SMILES
CCOC(=O)C(F)(F)C(F)(F)C(F)(F)C(=O)OCC- InChIKey
MSDPXVBLFJODJO-UHFFFAOYSA-N- Molecular formula
- C9H10F6O4
- Average molar mass
- 296.16 g/mol
- Monoisotopic mass
- 296.04832777
Names & identifiers
- Preferred name
- Diethyl hexafluoroglutarate
- IUPAC
- diethyl 2,2,3,3,4,4-hexafluoropentanedioate
- English name
- DIETHYL HEXAFLUOROGLUTARATE
- Molecular formula
- C9H10F6O4
- Molecular weight
- 296.16
Names & synonyms
Diethyl hexafluoroglutarate1,5-diethyl 2,2,3,3,4,4-hexafluoropentanedioatePentanedioic acid, 2,2,3,3,4,4-hexafluoro-, 1,5-diethyl esterRefChem:587229207-035-2424-40-8Diethyl 2,2,3,3,4,4-hexafluoropentanedioateDiethyl perfluoroglutarateDiethyl hexafluoropentanedioateDIETHYLHEXAFLUOROGLUTARATEPentanedioic acid, hexafluoro-, diethyl esterHexafluoroglutaric acid diethyl ester
Show more names
diethylesterkyselinyhexEthyl perfluoroglutaratediethylperfluoroglutarateDiethylperfluoropentadioateDiethyl perfluoroglutarate 97%diethylhexafluoropentanedioateDiethylhexafluoroglutarate,97%Diethyl hexafluoroglutarate 97%
MFCD00015156Hexafluoropentanedioic acid diethyl esterNSC 63360GLUTARIC ACID, HEXAFLUORO-, DIETHYL ESTERDiethylester kyseliny hexafluorglutaroveNSC-63360C9H10F6O4EINECS 207-035-2
Database identifiers
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 8
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 323
Experimental & physicochemical properties
PFAS
PFAS -> Other/unspecified
PFAS -> Other/unspecified
PFAS -> OECD Category
Physicochemical properties
- Boiling point
- 75 °C · 75 °C
- Density
- 1.344 · 1.344
- refractive index
- 1.3599 · 1.3599
- Flash point
- 76 · 76-79°C/3mm
- form
- clear liquid
- color
- Light orange to Yellow to Green
- Specific Gravity
- 1.344 · 1.344
- BRN
- 1804802 · 1804802
- CAS DataBase Reference
- 424 · 424-40-8(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- EPA Substance Registry System
- Pentanedioic acid, hexafluoro-, diethyl ester (424-40-8)
- Symbol(GHS)
- 7 · GHS07
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
Danger
H302 (12.5%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P320, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 8 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationS - indicates a substance that is identified in a final Significant New Use Rule.
Hazard Classes and CategoriesAcute Tox. 4 (12.5%)
Safety data
- tsca
- TSCA listed
- rtecs
- MA3750500
- hs_code
- 2917198090
- Toxicity
- mouse,LD50,oral,4200mg/kg (4200mg/kg),"Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 53, 1982.
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- C
- safety_code
- 26-36
- hazard_class
- CORROSIVE
Chemistry & industry
Uses & manufacturing
Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category
General Manufacturing InformationPentanedioic acid, 2,2,3,3,4,4-hexafluoro-, 1,5-diethyl ester: INACTIVE
Applications
UsesDiethyl Hexafluoroglutarate can be used for oil production process for selective water plugging method of oil wells.
Suppliers37 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [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]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
Related reactions
2 records
Compound notes
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