Ethyl 2,2-difluorohexanoate

Basic Information

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CAS Number

74106-81-3

Molecular Formula

C8H14F2O2

Molecular Weight

180.19 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Specialty Chemicals UV Stabilizers

Electronic Chemicals Semiconductor Materials Etchants

Basic Physical Properties

Boiling Point

172 ºC

Density

1.029

Flash Point

57 ºC

SMILES

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CCCCC(C(=O)OCC)(F)F

InChI

InChI=1S/C8H14F2O2/c1-3-5-6-8(9,10)7(11)12-4-2/h3-6H2,1-2H3

InChIKey

XTUTXYBGTIFZFQ-UHFFFAOYSA-N

LogP

2.375000000000001

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

146

Synonyms & References

English

CS-0045422
SY237164
74106-81-3
SCHEMBL1619413
AKOS005063328
I10204
ethyl-2,2-difluorohexanoate
2,2-Difluoro-hexanoic acid ethyl ester
MB08995
hexanoic acid, 2,2-difluoro-, ethyl ester
AMY7143
J-520662
A838013
MFCD11007687
H5TS88M7Q6
2,2-Difluorohexanoic acid ethyl ester
DTXSID60440302
Ethyl 2,2-difluorocaproate
FS-4651
ETHYL2,2-DIFLUOROHEXANOATE
FT-0657813
ethyl 2,2-difluorohexanoate
Ethyl 2,2-Difluorohexanoate
Ethyl-2,2-difluorohexanoate
2,2-Difluorhexansaeureethylester
AK175422
PubChem22649
XTUTXYBGTIFZFQ-UHFFFAOYSA-N
BBL102195
STL555994
RP24146

MDL Number

MFCD11007687

FAQ

What regulatory guidelines apply to Ethyl 2,2-difluorohexanoate (CAS: 74106-81-3)?

Ethyl 2,2-difluorohexanoate (CAS: 74106-81-3) is subject to the Chemicals in the European Union (REACH) regulation, the United Nations' Globally Harmonized System of Classification and Labeling of Chemicals (GHS), and the US EPA's Toxic Substances Control Act (TSCA). Compliance with these regulations may require registration, reporting, and labeling according to the hazardous properties of the compound.

Are there alternatives to Ethyl 2,2-difluorohexanoate (CAS: 74106-81-3) in synthesis?

Yes, alternatives to Ethyl 2,2-difluorohexanoate include other fluoro-substituted hexanoates and similar cyclic esters. Isomers such as 2,3-difluorohexanoic acid ethyl ester can be considered, as well as other functional groups like ketones or alcohols that might serve similar purposes in chemical synthesis.

What is the market or research trend for Ethyl 2,2-difluorohexanoate (CAS: 74106-81-3)?

The market trend for Ethyl 2,2-difluorohexanoate is driven by its use in pharmaceuticals and agrochemicals. Research is focusing on the development of new fluorochemicals for drug delivery systems and as intermediates in the synthesis of complex molecules. Price trends are influenced by supply chain dynamics and increasing demand in high-tech industries.

How should waste containing Ethyl 2,2-difluorohexanoate (CAS: 74106-81-3) be handled?

Waste containing Ethyl 2,2-difluorohexanoate should be collected in sealed, labeled containers and disposed of according to local regulations. Safe disposal methods include incineration or professional waste disposal services. Environmental protection measures include ensuring no leakage and proper containment to prevent exposure to soil and water. Always consult with a hazardous waste management professional for specific disposal instructions.