Results for:
PubChem ID: 17161

2,5-ditert-butylcyclohexa-2,5-diene-1,4-dione

Compound Details

Synonymous names
2460-77-7
2,5-Di-tert-butyl-1,4-benzoquinone
2,5-di-tert-butylcyclohexa-2,5-diene-1,4-dione
2,5-Cyclohexadiene-1,4-dione, 2,5-bis(1,1-dimethylethyl)-
2,5-Di-tert-butyl-p-benzoquinone
2,5-Di-tert-butylbenzoquinone
2,5-Di-tert-butylquinone
2,5-Di-tert-butylsemiquinone
2,5-di-tert-Butyl-p-quinone
2,5-ditert-butylcyclohexa-2,5-diene-1,4-dione
NSC 7489
NSC 43579
p-Benzoquinone, 2,5-di-tert-butyl-
2,5-DI-T-BUTYL-P-BENZOQUINONE
G893OSV02D
DTXSID3044889
NSC-7489
MFCD00019442
NSC-43579
p-Benzoquinone,5-di-tert-butyl-
2,4-dione, 2,5-bis(1,1-dimethylethyl)-
HSDB 3931
EINECS 219-552-0
BRN 2047945
UNII-G893OSV02D
AI3-16635
2,5-Bis(1,1-dimethylethyl)-2,5-cyclohexadiene-1,4-dione
Maybridge4_002986
SCHEMBL49783
CHEMBL3560130
DTXCID1024889
ZZYASVWWDLJXIM-UHFFFAOYSA-
NSC7489
CHEBI:183272
2,5-Cyclohexadien-1,4-dione, 2,5-bis(1,1-dimethylethyl)-
2,5-di-tert-butyl-1,4-quinone
HMS1529H16
2,5-di-t-butyl-1,4-benzoquinone
CCG-1811
NSC43579
Tox21_303738
2,5-Ditert-butylbenzo-1,4-quinone
2,5-ditert-butyl-[1,4]benzoquinone
AKOS015837828
CS-W023258
MCULE-5433016497
NCGC00176338-01
NCGC00176338-02
NCGC00357046-01
AS-15434
SY049950
CAS-2460-77-7
2,5-Di-tert-butyl-1,4-benzoquinone, 99%
D0178
NS00019886
2,5-DI-TERT-BUTYL-1,4 BENZOQUINONE
D71098
A817394
J-015589
Q27278928
InChI=1/C14H20O2/c1-13(2,3)9-7-12(16)10(8-11(9)15)14(4,5)6/h7-8H,1-6H3
Microorganism:

Yes

IUPAC name2,5-ditert-butylcyclohexa-2,5-diene-1,4-dione
SMILESCC(C)(C)C1=CC(=O)C(=CC1=O)C(C)(C)C
InchiInChI=1S/C14H20O2/c1-13(2,3)9-7-12(16)10(8-11(9)15)14(4,5)6/h7-8H,1-6H3
FormulaC14H20O2
PubChem ID17161
Molweight220.31
LogP3.4
Atoms16
Bonds2
H-bond Acceptor2
H-bond Donor0
Chemical Classificationquinones ketones
CHEBI-ID183272
Supernatural-IDSN0484825

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaSaccharomyces CerevisiaeNANAHarris et al. 2021
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaSaccharomyces Cerevisiaemalt extract brothHS-SPME with GC-MSno