CAS
94133-79-6 Purity
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94133-79-6 Purity
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![Sodium 2,5-dichloro-4-[4-[(2-chlorophenyl)azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulfonate](https://resource.alfa-chemistry.com/structure/94133-87-6.gif)
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3,5,5-Trimethylhexyl oleate
CAS
94133-86-5
Catalog Number
ACM94133865
Category
Other Products
Molecular Weight
408.700580 [g/mol]
Molecular Formula
C27H52O2
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Specification
Synonyms
3,5,5-Trimethylhexyl oleate, EINECS 302-750-7, CID6433027, 94133-86-5
IUPAC Name
3,5,5-trimethylhexyl (Z)-octadec-9-enoate
Canonical SMILES
CCCCCCCCC=CCCCCCCCC(=O)OCCC(C)CC(C)(C)C
InChI Key
NDUUAOMVVPFOQX-YPKPFQOOSA-N
Boiling Point
472.1ºC at 760mmHg
Flash Point
73.9ºC
Density
0.866g/cm³
EC Number
302-750-7
Exact Mass
408.39700
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of 3,5,5-Trimethylhexyl oleate?
The molecular formula of 3,5,5-Trimethylhexyl oleate is C27H52O2.
What is the molecular weight of 3,5,5-Trimethylhexyl oleate?
The molecular weight of 3,5,5-Trimethylhexyl oleate is 408.7 g/mol.
What is the IUPAC Name of 3,5,5-Trimethylhexyl oleate?
The IUPAC Name of 3,5,5-Trimethylhexyl oleate is 3,5,5-trimethylhexyl (Z)-octadec-9-enoate.
What is the InChIKey of 3,5,5-Trimethylhexyl oleate?
The InChIKey of 3,5,5-Trimethylhexyl oleate is NDUUAOMVVPFOQX-YPKPFQOOSA-N.
What is the canonical SMILES of 3,5,5-Trimethylhexyl oleate?
The canonical SMILES of 3,5,5-Trimethylhexyl oleate is CCCCCCCCC=CCCCCCCCC(=O)OCCC(C)CC(C)(C)C.
What is the CAS number of 3,5,5-Trimethylhexyl oleate?
The CAS number of 3,5,5-Trimethylhexyl oleate is 94133-86-5.
What is the European Community (EC) Number of 3,5,5-Trimethylhexyl oleate?
The European Community (EC) Number of 3,5,5-Trimethylhexyl oleate is 302-750-7.
What is the XLogP3-AA value of 3,5,5-Trimethylhexyl oleate?
The XLogP3-AA value of 3,5,5-Trimethylhexyl oleate is 11.
How many rotatable bonds are there in 3,5,5-Trimethylhexyl oleate?
There are 21 rotatable bonds in 3,5,5-Trimethylhexyl oleate.
Is 3,5,5-Trimethylhexyl oleate a canonicalized compound?
Yes, 3,5,5-Trimethylhexyl oleate is a canonicalized compound.
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CAS
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