4-Tert-Octylphenol Monoethoxylate-13C6

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Catalog Number
ACM1173019481
Product Name
4-Tert-Octylphenol Monoethoxylate-13C6
CAS
1173019-48-1
Category
Heterocyclic Organic Compound
Synonyms
2-[4-(2,4,4-trimethylpentan-2-yl)(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl]oxyethanol
IUPAC Name
2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethanol
Molecular Weight
256.33
Molecular Formula
C16H26O2
Canonical SMILES
CC(C)(C)CC(C)(C)[13C]1=[13CH][13CH]=[13C]([13CH]=[13CH]1)OCCO
InChI Key
JYCQQPHGFMYQCF-FQPQTBQFSA-N
Boiling Point
351.17 °C at 760 mmHg (Predicted) (unlabeled)
Complexity
232
Defined Atom Stereocenter Count
0
Exact Mass
256.2134
Formal Charge
0
H-Bond Acceptor
2
H-Bond Donor
1
Heavy Atom Count
18
Hydrogen Bond Acceptor Count
2
Hydrogen Bond Donor Count
1
Isotope Atom Count
6
Monoisotopic Mass
256.2134
Refractive Index
1.50 (Predicted) (unlabeled)
Rotatable Bond Count
6
Topological Polar Surface Area
29.5 Ų
MSDS
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COA
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Spec Sheet
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