CAS
94277-26-6 Purity
96%
94277-26-6 Purity
96%
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2-Octyldodecyl octanoate
CAS
94277-31-3
Catalog Number
ACM94277313
Category
Other Products
Molecular Weight
424.743040 [g/mol]
Molecular Formula
C28H56O2
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Specification
Synonyms
2-Octyldodecyl octanoate, EINECS 304-614-2, CID3024204, 94277-31-3
IUPAC Name
2-octyldodecyl octanoate
Canonical SMILES
CCCCCCCCCCC(CCCCCCCC)COC(=O)CCCCCCC
InChI Key
BQICHPILIPUDHG-UHFFFAOYSA-N
Boiling Point
455.7ºC at 760 mmHg
Flash Point
234.1ºC
Density
0.858g/cm³
EC Number
304-614-2
Exact Mass
424.42800
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of 2-Octyldodecyl octanoate?
The molecular formula of 2-Octyldodecyl octanoate is C28H56O2.
When was 2-Octyldodecyl octanoate created and modified in PubChem?
2-Octyldodecyl octanoate was created on 2005-08-08 and modified on 2023-12-30 in PubChem.
What is the IUPAC Name of 2-Octyldodecyl octanoate?
The IUPAC Name of 2-Octyldodecyl octanoate is 2-octyldodecyl octanoate.
What is the InChIKey of 2-Octyldodecyl octanoate?
The InChIKey of 2-Octyldodecyl octanoate is BQICHPILIPUDHG-UHFFFAOYSA-N.
What is the Canonical SMILES of 2-Octyldodecyl octanoate?
The Canonical SMILES of 2-Octyldodecyl octanoate is CCCCCCCCCCC(CCCCCCCC)COC(=O)CCCCCCC.
What is the XLogP3-AA value of 2-Octyldodecyl octanoate?
The XLogP3-AA value of 2-Octyldodecyl octanoate is 12.7.
How many hydrogen bond donor counts does 2-Octyldodecyl octanoate have?
2-Octyldodecyl octanoate has 0 hydrogen bond donor counts.
What is the exact mass of 2-Octyldodecyl octanoate?
The exact mass of 2-Octyldodecyl octanoate is 424.42803102 g/mol.
What is the topological polar surface area of 2-Octyldodecyl octanoate?
The topological polar surface area of 2-Octyldodecyl octanoate is 26.3 Ų.
Is the compound canonicalized in PubChem?
Yes, the compound is canonicalized in PubChem.
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