Results for:
PubChem ID: 136810

1,3-ditert-butylbenzene

Compound Details

Synonymous names
1,3-Di-tert-butylbenzene
1014-60-4
Benzene, 1,3-bis(1,1-dimethylethyl)-
1,3-ditert-butylbenzene
Benzene, m-di-tert-butyl-
m-Di-tert-butylbenzene
1,3-di-t-butylbenzene
1,3-di-tert-butyl benzene
1,3-bis(1,1-dimethylethyl)benzene
MFCD00008830
NSC243654
1,3-ditert-butyl-benzene
1,3-Ditertiarybutylbenzene
1,3-di-tert-butyl-benzene
CHEBI:88865
DTXSID80143904
1,3-Di-tert-butylbenzene, 97%
?1,3-DI-TERT-BUTYLBENZENE
BAA01460
Benzene,3-bis(1,1-dimethylethyl)-
AKOS015889123
MCULE-6456695887
NSC 243654
NSC-243654
AS-62564
SY010278
CS-0154912
D2431
NS00002587
C71072
J-000394
Q27160875
InChI=1/C14H22/c1-13(2,3)11-8-7-9-12(10-11)14(4,5)6/h7-10H,1-6H
Microorganism:

Yes

IUPAC name1,3-ditert-butylbenzene
SMILESCC(C)(C)C1=CC(=CC=C1)C(C)(C)C
InchiInChI=1S/C14H22/c1-13(2,3)11-8-7-9-12(10-11)14(4,5)6/h7-10H,1-6H3
FormulaC14H22
PubChem ID136810
Molweight190.32
LogP5.8
Atoms14
Bonds2
H-bond Acceptor0
H-bond Donor0
Chemical Classificationaromatic compounds alkylbenzenes benzenoids
CHEBI-ID88865
Supernatural-IDSN0148802

mVOC Specific Details

Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaPseudomonas ProtegensNAMannaa et al. 2018
ProkaryotaStaphylococcus AureusAmerican Type Culture CollectionJenkins and Bean 2020
ProkaryotaStaphylococcus EpidermidisAmerican Type Culture CollectionJenkins and Bean 2020
ProkaryotaStaphylococcus EquorumNANAToral et al. 2021
ProkaryotaBacillus AtrophaeusNANAToral et al. 2021
ProkaryotaPeribacillus Sp.NANAToral et al. 2021
ProkaryotaPseudomonas SegetisNANAToral et al. 2021
ProkaryotaBacillus VelezensisNANAToral et al. 2021
ProkaryotaPsychrobacillus VulpisNANAToral et al. 2021
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaPseudomonas Protegenstryptic soy broth (TSB)gastight syringe, GC-MSno
ProkaryotaStaphylococcus AureusLB mediaHS-SPME/GC×GC-TOFMSno
ProkaryotaStaphylococcus EpidermidisLB mediaHS-SPME/GC×GC-TOFMSno
ProkaryotaStaphylococcus Equorumtryptic soy agar (TSA, Panreac Applichem) mediumHS-SPME-GC/MSno
ProkaryotaBacillus AtrophaeusMOLPHS-SPME-GC/MSno
ProkaryotaBacillus AtrophaeusSchaeffer’s growth (SG) mediumHS-SPME-GC/MSno
ProkaryotaBacillus Atrophaeustryptic soy agar (TSA, Panreac Applichem) mediumHS-SPME-GC/MSno
ProkaryotaPeribacillus Sp.Schaeffer’s growth (SG) mediumHS-SPME-GC/MSno
ProkaryotaPeribacillus Sp.tryptic soy agar (TSA, Panreac Applichem) mediumHS-SPME-GC/MSno
ProkaryotaPseudomonas SegetisMOLPHS-SPME-GC/MSno
ProkaryotaPseudomonas Segetistryptic soy agar (TSA, Panreac Applichem) mediumHS-SPME-GC/MSno
ProkaryotaBacillus VelezensisMOLPHS-SPME-GC/MSno
ProkaryotaBacillus VelezensisSchaeffer’s growth (SG) mediumHS-SPME-GC/MSno
ProkaryotaBacillus Velezensistryptic soy agar (TSA, Panreac Applichem) mediumHS-SPME-GC/MSno
ProkaryotaPsychrobacillus VulpisMOLPHS-SPME-GC/MSno
ProkaryotaPsychrobacillus Vulpistryptic soy agar (TSA, Panreac Applichem) mediumHS-SPME-GC/MSno