CAS
94135-07-6 Purity
96%
94135-07-6 Purity
96%
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Pentyl 4-methylsalicylate
CAS
94135-10-1
Catalog Number
ACM94135101
Category
Other Products
Molecular Weight
222.280220 [g/mol]
Molecular Formula
C13H18O3
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Specification
Synonyms
Pentyl 4-methylsalicylate, EINECS 302-878-3, CID3023704, 94135-10-1
IUPAC Name
pentyl 2-hydroxy-4-methylbenzoate
Canonical SMILES
CCCCCOC(=O)C1=C(C=C(C=C1)C)O
InChI Key
VVBBTBUELOAEDJ-UHFFFAOYSA-N
Boiling Point
309.5ºC at 760mmHg
Flash Point
122.2ºC
Density
1.068g/cm³
EC Number
302-878-3
Exact Mass
222.12600
H-Bond Acceptor
3
H-Bond Donor
1
What is the molecular formula of Pentyl 4-methylsalicylate?
The molecular formula of Pentyl 4-methylsalicylate is C13H18O3.
When was Pentyl 4-methylsalicylate first created?
Pentyl 4-methylsalicylate was first created in 2005-08-08.
What is the IUPAC name of Pentyl 4-methylsalicylate?
The IUPAC name of Pentyl 4-methylsalicylate is pentyl 2-hydroxy-4-methylbenzoate.
What is the molecular weight of Pentyl 4-methylsalicylate?
The molecular weight of Pentyl 4-methylsalicylate is 222.28 g/mol.
What is the Canonical SMILES of Pentyl 4-methylsalicylate?
The Canonical SMILES of Pentyl 4-methylsalicylate is CCCCCOC(=O)C1=C(C=C(C=C1)C)O.
How many hydrogen bond donor counts are there in Pentyl 4-methylsalicylate?
There is 1 hydrogen bond donor count in Pentyl 4-methylsalicylate.
What is the topological polar surface area of Pentyl 4-methylsalicylate?
The topological polar surface area of Pentyl 4-methylsalicylate is 46.5 Ų.
Is the compound canonicalized according to PubChem?
Yes, the compound is canonicalized according to PubChem.
What is the XLogP3 value of Pentyl 4-methylsalicylate?
The XLogP3 value of Pentyl 4-methylsalicylate is 5.1.
How many rotatable bond counts are there in Pentyl 4-methylsalicylate?
There are 6 rotatable bond counts in Pentyl 4-methylsalicylate.
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