CAS
94200-04-1 Purity
96%
94200-04-1 Purity
96%
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2-Ethylheptyl isobutyrate
CAS
94200-07-4
Catalog Number
ACM94200074
Category
Other Products
Molecular Weight
214.344340 [g/mol]
Molecular Formula
C13H26O2
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Specification
Synonyms
2-Ethylheptyl isobutyrate, EINECS 303-483-9, CID3023947, 94200-07-4
IUPAC Name
2-ethylheptyl 2-methylpropanoate
Canonical SMILES
CCCCCC(CC)COC(=O)C(C)C
InChI Key
WTUQRNIKYKFKCP-UHFFFAOYSA-N
Boiling Point
239.5ºC at 760mmHg
Flash Point
104ºC
Density
0.866g/cm³
EC Number
303-483-9
Exact Mass
214.19300
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of 2-Ethylheptyl isobutyrate?
The molecular formula of 2-Ethylheptyl isobutyrate is C13H26O2.
What is the molecular weight of 2-Ethylheptyl isobutyrate?
The molecular weight of 2-Ethylheptyl isobutyrate is 214.34 g/mol.
What is the IUPAC name of 2-Ethylheptyl isobutyrate?
The IUPAC name of 2-Ethylheptyl isobutyrate is 2-ethylheptyl 2-methylpropanoate.
What is the Canonical SMILES representation of 2-Ethylheptyl isobutyrate?
The Canonical SMILES representation of 2-Ethylheptyl isobutyrate is CCCCCC(CC)COC(=O)C(C)C.
What is the InChIKey of 2-Ethylheptyl isobutyrate?
The InChIKey of 2-Ethylheptyl isobutyrate is WTUQRNIKYKFKCP-UHFFFAOYSA-N.
How many hydrogen bond acceptors does 2-Ethylheptyl isobutyrate have?
2-Ethylheptyl isobutyrate has 2 hydrogen bond acceptors.
What is the topological polar surface area of 2-Ethylheptyl isobutyrate?
The topological polar surface area of 2-Ethylheptyl isobutyrate is 26.3 Å^2.
Does 2-Ethylheptyl isobutyrate contain any defined atom stereocenters?
No, 2-Ethylheptyl isobutyrate does not contain any defined atom stereocenters.
What is the rotatable bond count of 2-Ethylheptyl isobutyrate?
The rotatable bond count of 2-Ethylheptyl isobutyrate is 9.
Is 2-Ethylheptyl isobutyrate a canonicalized compound?
Yes, 2-Ethylheptyl isobutyrate is a canonicalized compound.
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