CAS
93885-34-8 Purity
96%
93885-34-8 Purity
96%
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sec-Octylphenol
CAS
93891-78-2
Catalog Number
ACM93891782
Category
Other Products
Molecular Weight
206.323880 [g/mol]
Molecular Formula
C14H22O
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Specification
Synonyms
sec-Octylphenol, 2-(octan-2-yl)phenol, EINECS 242-459-1, 2-octan-2-ylphenol, AC1Q7AMM, Phenol,(1-methylheptyl)-, SureCN980558, AC1L3C9K, CTK4G0590, EINECS 299-461-0, AR-1C9616, AG-E-89460, 93891-78-2
IUPAC Name
2-octan-2-ylphenol
SMILES
CCCCCCC(C)C1=CC=CC=C1O
InChI Key
YENLEHMSMBFUTB-UHFFFAOYSA-N
EC Number
242-459-1
Exact Mass
206.16700
H-Bond Acceptor
1
H-Bond Donor
1
What is the molecular formula of sec-Octylphenol?
The molecular formula of sec-Octylphenol is C14H22O.
How is sec-Octylphenol computed by PubChem?
PubChem computes sec-Octylphenol using PubChem 2.2.
What is the IUPAC name of sec-Octylphenol?
The IUPAC name of sec-Octylphenol is 2-octan-2-ylphenol.
What is the InChI of sec-Octylphenol?
The InChI of sec-Octylphenol is InChI=1S/C14H22O/c1-3-4-5-6-9-12(2)13-10-7-8-11-14(13)15/h7-8,10-12,15H,3-6,9H2,1-2H3.
What is the InChIKey of sec-Octylphenol?
The InChIKey of sec-Octylphenol is YENLEHMSMBFUTB-UHFFFAOYSA-N.
What is the canonical SMILES of sec-Octylphenol?
The canonical SMILES of sec-Octylphenol is CCCCCCC(C)C1=CC=CC=C1O.
What is the CAS number of sec-Octylphenol?
The CAS number of sec-Octylphenol is 18626-98-7.
What is the European Community (EC) number of sec-Octylphenol?
The European Community (EC) number of sec-Octylphenol is 242-459-1.
What is the XLogP3 value of sec-Octylphenol?
The XLogP3 value of sec-Octylphenol is 5.6.
Is sec-Octylphenol a canonicalized compound according to PubChem?
Yes, sec-Octylphenol is a canonicalized compound according to PubChem.
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