CAS
998824 Purity
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998824 Purity
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2,6-Dimethyl-2-octyl propionate
CAS
99886-27-8
Catalog Number
ACM99886278
Category
Other Products
Molecular Weight
214.344340 [g/mol]
Molecular Formula
C13H26O2
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Specification
Synonyms
EINECS 309-074-1, 2,6-Dimethyl-2-octyl propionate, CID113432, 99886-27-8
IUPAC Name
2,6-dimethyloctan-2-yl propanoate
Canonical SMILES
CCC(C)CCCC(C)(C)OC(=O)CC
InChI Key
UXAGANHTCDZALK-UHFFFAOYSA-N
Boiling Point
229.6ºC at 760 mmHg
Flash Point
95.1ºC
Density
0.867g/cm³
EC Number
309-074-1
Exact Mass
214.19300
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of 2,6-Dimethyl-2-octyl propionate?
The molecular formula is C13H26O2.
What is the molecular weight of 2,6-Dimethyl-2-octyl propionate?
The molecular weight is 214.34 g/mol.
What is the IUPAC name of 2,6-Dimethyl-2-octyl propionate?
The IUPAC name is 2,6-dimethyloctan-2-yl propanoate.
What is the InChI of 2,6-Dimethyl-2-octyl propionate?
The InChI is InChI=1S/C13H26O2/c1-6-11(3)9-8-10-13(4,5)15-12(14)7-2/h11H,6-10H2,1-5H3.
What is the InChIKey of 2,6-Dimethyl-2-octyl propionate?
The InChIKey is UXAGANHTCDZALK-UHFFFAOYSA-N.
What is the Canonical SMILES of 2,6-Dimethyl-2-octyl propionate?
The Canonical SMILES is CCC(C)CCCC(C)(C)OC(=O)CC.
What is the CAS number of 2,6-Dimethyl-2-octyl propionate?
The CAS number is 99886-27-8.
What is the XLogP3-AA value of 2,6-Dimethyl-2-octyl propionate?
The XLogP3-AA value is 4.3.
How many hydrogen bond acceptors does 2,6-Dimethyl-2-octyl propionate have?
It has 2 hydrogen bond acceptors.
Is 2,6-Dimethyl-2-octyl propionate a canonicalized compound?
Yes, it is a canonicalized compound.
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CAS
99886-29-0 Purity
96%
99886-29-0 Purity
96%
