CAS
94199-99-2 Purity
96%
94199-99-2 Purity
96%
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2-Ethylheptyl butyrate
CAS
94200-05-2
Catalog Number
ACM94200052
Category
Other Products
Molecular Weight
214.344340 [g/mol]
Molecular Formula
C13H26O2
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Specification
Synonyms
2-Ethylheptyl butyrate, EINECS 303-481-8, CID3023945, 94200-05-2
IUPAC Name
2-ethylheptyl butanoate
SMILES
CCCCCC(CC)COC(=O)CCC
InChI Key
NVYHUJCPMVDGIV-UHFFFAOYSA-N
Boiling Point
248.9ºC at 760mmHg
Flash Point
104.7ºC
Density
0.867g/cm³
EC Number
303-481-8
Exact Mass
214.19300
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of 2-Ethylheptyl butyrate?
The molecular formula is C13H26O2.
When was 2-Ethylheptyl butyrate created?
It was created on August 8, 2005.
What is the IUPAC Name of 2-Ethylheptyl butyrate?
The IUPAC Name is 2-ethylheptyl butanoate.
What is the InChIKey of 2-Ethylheptyl butyrate?
The InChIKey is NVYHUJCPMVDGIV-UHFFFAOYSA-N.
What is the Canonical SMILES of 2-Ethylheptyl butyrate?
The Canonical SMILES is CCCCCC(CC)COC(=O)CCC.
What is the molecular weight of 2-Ethylheptyl butyrate?
The molecular weight is 214.34 g/mol.
How many hydrogen bond donor counts does 2-Ethylheptyl butyrate have?
It has 0 hydrogen bond donor counts.
What is the rotatable bond count of 2-Ethylheptyl butyrate?
The rotatable bond count is 10.
Is 2-Ethylheptyl butyrate a canonicalized compound?
Yes, the compound is canonicalized.
What is the topological polar surface area of 2-Ethylheptyl butyrate?
The topological polar surface area is 26.3 Ų.
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