CAS
94108-20-0 Purity
96%
94108-20-0 Purity
96%
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2-(2-Hydroxypropoxy)-1-methylethyl laurate
CAS
94108-26-6
Catalog Number
ACM94108266
Category
Other Products
Molecular Weight
316.476040 [g/mol]
Molecular Formula
C18H36O4
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Specification
Synonyms
EINECS 302-365-4, 2-(2-Hydroxypropoxy)-1-methylethyl laurate, 94108-26-6
IUPAC Name
1-(2-hydroxypropoxy)propan-2-yl dodecanoate
Canonical SMILES
CCCCCCCCCCCC(=O)OC(C)COCC(C)O
InChI Key
SPKKNBYAYDORNI-UHFFFAOYSA-N
Boiling Point
409.9ºC at 760mmHg
Flash Point
131.6ºC
Density
0.947g/cm³
EC Number
302-365-4
Exact Mass
316.26100
H-Bond Acceptor
4
H-Bond Donor
1
What is the molecular formula of the compound?
The molecular formula of the compound is C18H36O4.
What is the molecular weight of the compound?
The molecular weight of the compound is 316.5 g/mol.
What are some synonyms for the compound?
Some synonyms for the compound are 2-(2-Hydroxypropoxy)-1-methylethyl laurate and 94108-26-6.
What is the IUPAC name of the compound?
The IUPAC name of the compound is 1-(2-hydroxypropoxy)propan-2-yl dodecanoate.
What is the InChIKey of the compound?
The InChIKey of the compound is SPKKNBYAYDORNI-UHFFFAOYSA-N.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value of the compound is 5.3.
How many hydrogen bond donor counts does the compound have?
The compound has 1 hydrogen bond donor count.
How many hydrogen bond acceptor counts does the compound have?
The compound has 4 hydrogen bond acceptor counts.
What is the topological polar surface area of the compound?
The topological polar surface area of the compound is 55.8 Ų.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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