CAS
94200-07-4 Purity
96%
94200-07-4 Purity
96%
![1H-Benzimidazolium,2-[3-[1,3-dihydro-1-methyl-5-(1-pyrrolidinylsulfonyl)-3-(3-sulfopropyl)-2H-benzimidazol-2-ylidene]-1](https://resource.alfa-chemistry.com/structure/94200-20-1.gif)
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3,3,5-Trimethylcyclohexyl butyrate
CAS
94200-12-1
Catalog Number
ACM94200121
Category
Other Products
Molecular Weight
212.328460 [g/mol]
Molecular Formula
C13H24O2
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Specification
Synonyms
EINECS 303-489-1, 3,3,5-Trimethylcyclohexyl butyrate, CID3023950, 94200-12-1
IUPAC Name
(3,3,5-trimethylcyclohexyl) butanoate
InChI Key
UIFRJGOCMUXTRV-UHFFFAOYSA-N
Boiling Point
244.8ºC at 760 mmHg
Flash Point
105.5ºC
Density
0.92g/cm³
Exact Mass
212.17800
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of 3,3,5-Trimethylcyclohexyl butyrate?
The molecular formula of 3,3,5-Trimethylcyclohexyl butyrate is C13H24O2.
When was the structure of 3,3,5-Trimethylcyclohexyl butyrate created and modified?
The structure of 3,3,5-Trimethylcyclohexyl butyrate was created on 2005-08-08 and modified on 2023-12-30.
What is the IUPAC name of 3,3,5-Trimethylcyclohexyl butyrate?
The IUPAC name of 3,3,5-Trimethylcyclohexyl butyrate is (3,3,5-trimethylcyclohexyl) butanoate.
What is the InChI key of 3,3,5-Trimethylcyclohexyl butyrate?
The InChI key of 3,3,5-Trimethylcyclohexyl butyrate is UIFRJGOCMUXTRV-UHFFFAOYSA-N.
How many hydrogen bond acceptors are present in 3,3,5-Trimethylcyclohexyl butyrate?
There are 2 hydrogen bond acceptors present in 3,3,5-Trimethylcyclohexyl butyrate.
What is the exact mass of 3,3,5-Trimethylcyclohexyl butyrate?
The exact mass of 3,3,5-Trimethylcyclohexyl butyrate is 212.177630004 g/mol.
How many rotatable bond counts are there in 3,3,5-Trimethylcyclohexyl butyrate?
There are 4 rotatable bond counts in 3,3,5-Trimethylcyclohexyl butyrate.
What is the topological polar surface area of 3,3,5-Trimethylcyclohexyl butyrate?
The topological polar surface area of 3,3,5-Trimethylcyclohexyl butyrate is 26.3 2.
Is the compound canonicalized?
Yes, the compound is canonicalized.
How many defined atom stereocenters are present in 3,3,5-Trimethylcyclohexyl butyrate?
There are 0 defined atom stereocenters present in 3,3,5-Trimethylcyclohexyl butyrate.
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