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2,5-Di-tert-butylhydroquinone

Catalog Number
ACM88584-1
Product Name
2,5-Di-tert-butylhydroquinone
Structure
CAS
88-58-4
Category
Plastic Additives
Synonyms
Di-Tertiary butylhydroquinone
Description
PelletsLargeCrystals
IUPAC Name
2,5-Ditert-butylbenzene-1,4-diol
Molecular Weight
222.32
Molecular Formula
C14H22O2
Canonical SMILES
CC(C)(C)C1=CC(=C(C=C1O)C(C)(C)C)O
InChI
InChI=1S/C14H22O2/c1-13(2,3)9-7-12(16)10(8-11(9)15)14(4,5)6/h7-8,15-16H,1-6H3
InChI Key
JZODKRWQWUWGCD-UHFFFAOYSA-N
Boiling Point
321 °C
Melting Point
216-218 °C
Flash Point
216 °C
Purity
98%+
Density
1.07 g/cm3
Appearance
White to Light yellow to Light red powder to crystal
Complexity
208
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
EC Number
201-841-8
Exact Mass
222.16197994
Formal Charge
0
Heavy Atom Count
16
Hydrogen Bond Acceptor Count
2
Hydrogen Bond Donor Count
2
Isotope Atom Count
0
MeSH Entry Terms
1,4-benzenediol, 2,5-bis(1,1-dimethylethyl)-;1,4-dihydroxy-2,5-di-tert-butylbenzene;2,5-di(tert-butyl)-1,4-benzohydroquinone;2,5-di-t-butylquinol;2,5-di-tert-butyl-1,4-benzenediol;2,5-di-tert-butyl-1,4-benzohydroquinone;2,5-di-tert-butylbenzene-1,4-diol;2,5-di-tert-butylhydroquinone;2,5-di-tert-butylquinol;di-t-butylhydroquinone;di-tert-butylhydroquinone;DTBHQ;NSC-11;tBuBHQ
Monoisotopic Mass
222.16197994
NSC Number
9886;11
Rotatable Bond Count
2
Topological Polar Surface Area
40.5 Ų
Undefined Atom Stereocenter Count
0
Undefined Bond Stereocenter Count
0
UNII
26XK13B61B
XLogP3
4.6
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