Results for:
chemical Classification: cycloalkanes

1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

Mass-Spectra

Compound Details

Synonymous names
DECAHYDRONAPHTHALENE
cis-Decahydronaphthalene
Decalin
trans-Decahydronaphthalene
91-17-8
493-01-6
CIS-DECALIN
493-02-7
TRANS-DECALIN
Perhydronaphthalene
Naphthalane
Dekalin
Naphthalene, decahydro-
Naphthan
Naphthane
Dekalina
De-kalin
Bicyclo[4.4.0]decane
t-decalin
cis-Perhydronaphthalene
trans-Perhydronaphthalene
Naphthalene, decahydro-, cis-
cis-Bicyclo[4.4.0]decane
trans-Bicyclo[4.4.0]decane
Bicyclo(4.4.0)decane
Decahydronaphthalene, trans-
(4ar,8ar)-decahydronaphthalene
c-decalin
Naphthalene, decahydro-, trans-
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
Decahydronaphthalin
Dekahydronaphthalin
NSC 406139
c-decahydronaphthalene
(4as,8as)-decahydronaphthalene
MFCD00004130
cis-Bicyclo(4.4.0)decane
trans-Bicyclo(4.4.0)decane
DTXSID1024912
CHEBI:38853
88451Q4XYF
MFCD00064191
NSC-406139
Dekalina [Polish]
Naphthalene-1,2,3,4,5,6,7,8-d8, decahydro-d10-
CCRIS 3410
HSDB 287
EINECS 202-046-9
UN1147
BRN 0878165
trans decalin
UNII-88451Q4XYF
AI3-01256
decahydronaphtalene
Decalin(R)
Naphthalene, cis-
Decanhydronaphthalene
EINECS 207-770-9
EINECS 207-771-4
NSC 77452
NSC 77453
(E)-Decahydronaphthalene
(Z)-Decahydronaphthalene
Decahydronaphthalene, cis
DECALIN [MI]
EC 202-046-9
NAPHTHALENE DECAHYDRO
Decahydronaphthalene, (E)-
Decahydronaphthalene, (Z)-
WLN: L66TJ
3-05-00-00245 (Beilstein Handbook Reference)
MLS001055339
cis-Decahydronaphthalene, 99%
DTXCID304912
CHEMBL1491920
CHEBI:38860
CHEBI:38863
trans-Decahydronaphthalene, 99%
DTXSID00873337
DTXSID90883405
Decahydronaphthalene, cis + trans
DECAHYDRONAPHTHALENE [HSDB]
HMS3039O03
NSC77452
NSC77453
STR05788
Tox21_200222
DECAHYDRONAPHTHALENE [WHO-DD]
MFCD00064189
NSC-77452
NSC-77453
NSC406139
STL280340
AKOS009031622
AKOS016010284
AKOS025295369
AT32906
AT32907
UN 1147
CAS-91-17-8
NCGC00090716-01
NCGC00090716-02
NCGC00257776-01
BS-23504
BS-23873
SMR000673566
SY128056
DB-051621
DB-051622
DB-057244
D0007
D0008
D0009
D1738
NS00003533
NS00079855
NS00080102
Decahydronaphthalene (Mixture of Cis + Trans)
A843747
cis-Decahydronaphthalene, purum, >=98.0% (GC)
Q415454
Decahydronaphthalene [UN1147] [Flammable liquid]
W-109334
Q27118000
Q27118002
Z104474658
InChI=1/C10H18/c1-2-6-10-8-4-3-7-9(10)5-1/h9-10H,1-8H
Naphthalene, decahydro-, trans-; trans-Decahydronaphthalene; t-decalin; trans-Bicyclo[4.4.0]decane; trans-Decalin; trans-Perhydronaphthalene
Microorganism:

Yes

IUPAC name1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESC1CCC2CCCCC2C1
InchiInChI=1S/C10H18/c1-2-6-10-8-4-3-7-9(10)5-1/h9-10H,1-8H2
FormulaC10H18
PubChem ID7044
Molweight138.25
LogP4.6
Atoms10
Bonds0
H-bond Acceptor0
H-bond Donor0
Chemical Classificationcycloalkanes saturated hydrocarbons
CHEBI-ID38853
Supernatural-IDSN0250001

mVOC Specific Details

Boiling Point
DegreeReference
155.5 °C peer reviewed
Volatilization
The Henry's Law constant for decahydronaphthalene is estimated as 0.47 atm-cu m/mole(SRC) derived from its vapor pressure, 2.3 mm Hg(1), and water solubility, 0.889 mg/l(2). This Henry's Law constant indicates that decahydronaphthalene is expected to volatilize rapidly from water surfaces(3). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(3) is estimated as 3.5 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(3) is estimated as 5 days(SRC). However, volatilization from water surfaces is expected to be attenuated by adsorption to suspended solids and sediment in the water column. The estimated volatilization half-life from a model pond is 28 days if adsorption is considered(4). Decahydronaphthalene's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of decahydronaphthalene from dry soil surfaces may exist(SRC) based upon a vapor pressure of 2.3 mm Hg(1).
Literature: (1) Boublik T et al; Vapor Pressures of Pure Substances. NY, NY: Elsevier p. 607 (1984) (2) Yalkowsky SH, Dannenfelser RM; The AQUASOL dATAbASE of Aqueous Solubility. Ver 5. Tucson, AZ: Univ AZ, College of Pharmacy (1992) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (4) US EPA; EXAMS II Computer Simulation (1987)
Soil Adsorption
The Koc of decahydronaphthalene is estimated as 4,600(SRC), using a water solubility of 0.889 mg/l(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that decahydronaphthalene is expected to have slight mobility in soil.
Literature: (1) Yalkowsky SH, Dannenfelser RM; The AQUASOL dATAbASE of Aqueous Solubility. Ver 5. Tucson, AZ: Univ AZ, College of Pharmacy (1992) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 4-5 (1990) (3) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
2.3 mm Hg @ 25 deg CBoublik, T., Fried, V., and Hala, E., The Vapour Pressures of Pure Substances. Second Revised Edition. Amsterdam: Elsevier, 1984.
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaPhoma Sp.n/aNAStrobel et al. 2011
Lactobacillus PlantarumZhang et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaPhoma Sp.n/aSolid phase microextraction (SPME)no
Lactobacillus PlantarumHabanero pepperGC–IMSno


Methylcyclopentane

Compound Details

Synonymous names
METHYLCYCLOPENTANE
96-37-7
Cyclopentane, methyl-
Methyl cyclopentane
Methylpentamethylene
Methyl-cyclopentane
CCRIS 6058
HSDB 876
UNII-5G26CC1ASK
EINECS 202-503-2
5G26CC1ASK
NSC 24836
BRN 1900214
DTXSID3025590
CHEBI:88429
NSC-24836
DTXCID205590
4-05-00-00084 (Beilstein Handbook Reference)
UN2298
cyclopentylmethane
cyclopentane, methyl
MFCD00001382
Methylcyclopentane, 97%
Methylcyclopentane [UN2298] [Flammable liquid]
WLN: L5TJ A1
CHEMBL30940
NSC24836
Tox21_202882
AKOS015842660
Methylcyclopentane, analytical standard
UN 2298
CAS-96-37-7
NCGC00260428-01
M0203
NS00019504
Methylcyclopentane [UN2298] [Flammable liquid]
Q412979
InChI=1/C6H12/c1-6-4-2-3-5-6/h6H,2-5H2,1H
5310-57-6
Cyclopentane, methyl-; Methylcyclopentane; 1-Methyl-cyclopentanecarbaldehyde; Methycyclopentane; NSC 24836
Microorganism:

Yes

IUPAC namemethylcyclopentane
SMILESCC1CCCC1
InchiInChI=1S/C6H12/c1-6-4-2-3-5-6/h6H,2-5H2,1H3
FormulaC6H12
PubChem ID7296
Molweight84.16
LogP3.4
Atoms6
Bonds0
H-bond Acceptor0
H-bond Donor0
Chemical Classificationsaturated hydrocarbons cycloalkanes
CHEBI-ID88429
Supernatural-IDSN0102859

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
Mycobacterium UlceransChudy et al. 2024
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
Mycobacterium UlceransNAGCMS–GP2010no


Cyclopentanol

Compound Details

Synonymous names
CYCLOPENTANOL
96-41-3
Cyclopentyl alcohol
Hydroxycyclopentane
1-cyclopentanol
MFCD00001363
UN2244
1L43Q07TBU
DTXSID1033371
CHEBI:16133
NSC-49117
DTXCID9013371
CAS-96-41-3
HSDB 2821
EINECS 202-504-8
NSC 49117
cydopentanol
UNII-1L43Q07TBU
AI3-25264
YEG
1-cyclopentyl alcohol
Cyclopentanol, 99%
CYCLOPENTANOL [MI]
EC 202-504-8
MLS001055338
CHEMBL288998
BDBM36176
AMY3616
Cyclopentanol, analytical standard
HMS3039M14
BCP30892
NSC49117
STR07441
Tox21_200109
Tox21_303563
STL280357
AKOS000118901
CS-W004073
MCULE-1758440264
UN 2244
UN-2244
NCGC00091006-01
NCGC00091006-02
NCGC00257249-01
NCGC00257663-01
SMR000673565
NS00006348
Cyclopentanol [UN2244] [Flammable liquid]
EN300-19348
C02020
A845587
Q284201
Hydroxycyclopentane;Cyclopentyl alcohol;1-Cyclopentanol
F0001-2295
InChI=1/C5H10O/c6-5-3-1-2-4-5/h5-6H,1-4H
Microorganism:

Yes

IUPAC namecyclopentanol
SMILESC1CCC(C1)O
InchiInChI=1S/C5H10O/c6-5-3-1-2-4-5/h5-6H,1-4H2
FormulaC5H10O
PubChem ID7298
Molweight86.13
LogP0.8
Atoms6
Bonds0
H-bond Acceptor1
H-bond Donor1
Chemical Classificationalcohols cycloalkanes
CHEBI-ID16133
Supernatural-IDSN0426322

mVOC Specific Details

Boiling Point
DegreeReference
140.4 °C peer reviewed
Volatilization
The Henry's Law constant for cyclopentanol is estimated as 2.6X10-6 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This value indicates that cyclopentanol will volatilize from water surfaces(2,SRC). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec) is estimated as approximately 13 days(2,SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec) is estimated as approximately 98 days(2,SRC). Cyclopentanol's high vapor pressure, 1892 mm Hg(3) indicates that volatilization from dry soil surfaces should occur(SRC); based on this compound's Henry's Law constant(1,SRC), significant volatilization from moist soil surfaces is not expected(SRC).
Soil Adsorption
The Koc of cyclopentanol is estimated as approximately 58(SRC), using a measured log Kow of 0.71(1) and a regression-derived equation(2,SRC). According to a recommended classification scheme(3), this estimated Koc value suggests that cyclopentanol has high mobility in soil(SRC).
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaPseudomonas AeruginosaNANALawal et al. 2018a
ProkaryotaEnterobacter CloacaeNALawal et al. 2018
ProkaryotaPseudomonas AeruginosaNALawal et al. 2018
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaPseudomonas AeruginosaASMTD/GC-MSno
ProkaryotaEnterobacter CloacaeLevine EMB agar (LEA) (Fluka Analytical, UK)GC-MSno
ProkaryotaPseudomonas AeruginosaLevine EMB agar (LEA) (Fluka Analytical, UK)GC-MSno


4-tert-butylcyclohexan-1-ol

Mass-Spectra

Compound Details

Synonymous names
4-tert-Butylcyclohexanol
98-52-2
cis-4-tert-Butylcyclohexanol
937-05-3
trans-4-tert-butylcyclohexanol
21862-63-5
4-(tert-Butyl)cyclohexanol
cis-4-(tert-Butyl)cyclohexanol
4-tert-butylcyclohexan-1-ol
Cyclohexanol, 4-(1,1-dimethylethyl)-
trans-4-(tert-Butyl)cyclohexanol
Padaryl
p-tert-Butylcyclohexanol
Cyclohexanol, 4-(1,1-dimethylethyl)-, cis-
CYCLOHEXANOL, 4-tert-BUTYL-
4-t-Butylcyclohexanol
USAF DO-20
Cyclohexanol, 4-(1,1-dimethylethyl)-, trans-
Cyclohexanol, 4-tert-butyl-, cis-
4-tert-butyl-1-cyclohexanol
4-tert-Butylcyclohexanol, cis-
F5FZ4Y0UMG
DTXSID5026623
cis-4-tert-butyl-1-cyclohexanol
4-tert-Butylcyclohexanol, trans-
L5067JRJ73
(1s,4s)-4-tert-butylcyclohexanol
MFCD00001473
(1S,4S)-4-TERT-BUTYLCYCLOHEXAN-1-OL
DTXCID606623
4-tert-Butyl cyclohexanol
CAS-98-52-2
EINECS 202-676-4
NSC 404197
BRN 1902277
UNII-K0H1405S9C
UNII-L5067JRJ73
AI3-02503
4-(tert-butyl)cyclohexan-1-ol
trans-4-tert-Butyl-cyclohexanol
cis-4-tert-Butylcyclohexan-1-ol
EINECS 213-321-8
3-XYLENEDIAMINE
4-terbutyl-cyclohexanol
p-tert-butyl cyclohexanol
UNII-F5FZ4Y0UMG
4-tert-butyl-cyclohexanol
Cis-4-t-butylcyclohexanol
4-t-butyl-1-cyclohexanol
cis-4-tertbutylcyclohexanol
EC 202-676-4
4-tert.-Butyl-cyclohexanol
cis-4-Tert-butylcyclhexanol
trans-4-t-butylcyclohexanol
Hexahydro-p-tert-butylphenol
cis 4-tert-Butylcyclohexanol
cis-4-(t-butyl)cyclohexanol
4-tert-Butylcyclohexanol,c&t
1-06-00-00018 (Beilstein Handbook Reference)
cis 4-tert-Butyl-cyclohexanol
cis-4-tert-butyl cyclohexanol
cis-4-tert-Butyl-cyclohexanol
SCHEMBL114150
SCHEMBL579272
SCHEMBL579573
(E)-4-tert-Butylcyclohexanol
4-tert-butyl-cyclohexan-1-ol
Cyclohexanol,1-dimethylethyl)-
cis-4-tert.-butyl-cyclohexanol
SCHEMBL7752973
SCHEMBL8365597
trans 4-tert-Butyl-cyclohexanol
trans-4-tert-butyl cyclohexanol
CHEMBL1886723
FEMA NO. 4724
4-tert-Butylcyclohexanol, (Z)-
AMY3572
DTXSID40883571
DTXSID50885182
K0H1405S9C
(1r,4r)-4-tert-butylcyclohexanol
BCP30881
inverted exclamation markY95%(GC)
STR03673
WAA86263
4-CIS-TERT-BUTYLCYCLOHEXANOL
Tox21_201515
Tox21_303090
BBL019113
MFCD00064952
MFCD00070476
NSC404197
STL199047
TRANS-P-TERT-BUTYLCYCLOHEXANOL
AKOS000120382
AKOS015837822
AKOS015837824
CS-W010920
MCULE-5478213822
NSC-404197
SB83913
SB84138
NCGC00164215-01
NCGC00164215-02
NCGC00256931-01
NCGC00259065-01
AS-60214
AS-60986
TRANS-1-TERT-BUTYLCYCLOHEXAN-4-OL
TRANS-4-TERT-BUTYL-1-CYCLOHEXANOL
WLN: L6TJ AX1 & 1 & 1 DQ
Cyclohexanol,4-(1,1-dimethylethyl)-,cis-
DB-045718
DB-080541
DB-369944
TRANS-4-TERT-BUTYLCYCLOHEXYL ALCOHOL
B0383
B1270
B1271
CS-0343022
CS-0343024
CYCLOHEXANOL, 4-TERT-BUTYL-, TRANS-
NS00002002
NS00079520
cyclohexanol, 4-(1,1-dimethylethyl)-, trans
EN300-20213
(1R,4R)-4-TERT-BUTYLCYCLOHEXAN-1-OL
EC 700-127-8
P20543
T70576
T71478
EN300-6735394
TRANS-4-TERT-BUTYLCYCLOHEXANOL [WHO-DD]
A815716
A844682
A845870
A858538
A859665
Q-200399
Q27277664
Q27282714
F0001-2316
trans-4-(tert-Butyl)cyclohexanol relative stereochemistry
Z104477300
Microorganism:

Yes

IUPAC name4-tert-butylcyclohexan-1-ol
SMILESCC(C)(C)C1CCC(CC1)O
InchiInChI=1S/C10H20O/c1-10(2,3)8-4-6-9(11)7-5-8/h8-9,11H,4-7H2,1-3H3
FormulaC10H20O
PubChem ID7391
Molweight156.26
LogP3
Atoms11
Bonds1
H-bond Acceptor1
H-bond Donor1
Chemical Classificationalcohols cycloalkanes

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaCarnobacterium Divergensn/aNAErcolini et al. 2009
EukaryotaSaccharomyces CerevisiaeNANAHarris et al. 2021
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaCarnobacterium Divergensn/an/ano
EukaryotaSaccharomyces Cerevisiaemalt extract brothHS-SPME with GC-MSno


Methylcyclohexane

Mass-Spectra

Compound Details

Synonymous names
METHYLCYCLOHEXANE
108-87-2
Cyclohexane, methyl-
Hexahydrotoluene
Cyclohexylmethane
Toluene hexahydride
Hexahydroxytoluene
Sextone B
Toluene, hexahydro-
methyl cyclohexane
Metylocykloheksan
methyl-cyclohexane
HSDB 98
NSC 9391
UNII-H5WXT3SV31
EINECS 203-624-3
METHYLCYCLOHEXANE-D11 (RING-D11)
H5WXT3SV31
DTXSID0047749
AI3-18132
NSC-9391
DTXCID4027733
CHEBI:165745
EC 203-624-3
Metylocykloheksan [Polish]
METHYLCYCLOHEXANE (USP-RS)
METHYLCYCLOHEXANE [USP-RS]
UN2296
methycyclohexane
1-methylcyclohexane
2-methylcyclohexane
MFCD00001497
MCHX
Methylcyclohexane, 99%
TOLUENE, HEXAHYDRO
WLN: L6TJ A1
METHYLCYCLOHEXANE [MI]
METHYLCYCLOHEXANE [HSDB]
NSC9391
Tox21_303867
LMFA11000660
Methylcyclohexane, analytical standard
Methylcyclohexane, anhydrous, >=99%
AKOS015842776
MCULE-3843525768
UN 2296
Methylcyclohexane, ReagentPlus(R), 99%
NCGC00357267-01
CAS-108-87-2
for HPLC, inverted exclamation markY99%
M0190
M0244
M0627
NS00002209
Methylcyclohexane 1000 microg/mL in Methanol
Methylcyclohexane [UN2296] [Flammable liquid]
Methylcyclohexane 100 microg/mL in Acetonitrile
Methylcyclohexane, spectrophotometric grade, 99%
A801936
Q419330
J-522692
InChI=1/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H
Methylcyclohexane, purum, absolute, over molecular sieve (H2O <=0.005%), >=98.0% (GC)
Microorganism:

Yes

IUPAC namemethylcyclohexane
SMILESCC1CCCCC1
InchiInChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3
FormulaC7H14
PubChem ID7962
Molweight98.19
LogP3.6
Atoms7
Bonds0
H-bond Acceptor0
H-bond Donor0
Chemical Classificationalkanes cycloalkanes
CHEBI-ID165745
Supernatural-IDSN0364882

mVOC Specific Details

Boiling Point
DegreeReference
100.9 °C peer reviewed
Vapor Pressure
PressureReference
46 MM HG @ 25 DEG CDaubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaBacillus MegateriumNAMannaa et al. 2018
EukaryotaMalassezia GlobosaFungal Biodiversity Center (WesterdijkInstitute, Utrecht, The Netherlands)Rios-Navarro et al. 2023
EukaryotaMalassezia RestrictaFungal Biodiversity Center (WesterdijkInstitute, Utrecht, The Netherlands)Rios-Navarro et al. 2023
EukaryotaMalassezia SympodialisFungal Biodiversity Center (WesterdijkInstitute, Utrecht, The Netherlands)Rios-Navarro et al. 2023
ProkaryotaMoraxella Catarrhaliscould serve as potential biomarkers to distinguish between viruses and bacteriaNAAbd El Qader et al. 2015
ProkaryotaHaemophilus Influenzaecould serve as potential biomarkers to distinguish between viruses and bacteriaNAAbd El Qader et al. 2015
ProkaryotaLegionella Pneumophilacould serve as potential biomarkers to distinguish between viruses and bacteriaNAAbd El Qader et al. 2015
EukaryotaTrichoderma Viriden/aNAWheatley et al. 1997
ProkaryotaMoraxella Catarrhalisinfectious bacterial activityhumans, respiratory infectionsAbd El Qader et al. 2015
ProkaryotaHaemophilus Influenzaeinfectious bacterial activityhumans, respiratory infectionsAbd El Qader et al. 2015
ProkaryotaLegionella Pneumophilainfectious bacterial activityhumans, respiratory infectionsAbd El Qader et al. 2015
ProkaryotaBurkholderia Tropican/aNATenorio-Salgado et al. 2013
Mycobacterium UlceransChudy et al. 2024
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaBacillus Megateriumtryptic soy broth (TSB)gastight syringe, GC-MSno
EukaryotaMalassezia Globosamodified Dixon agarHS-SPME/GC-MSno
EukaryotaMalassezia Restrictamodified Dixon agarHS-SPME/GC-MSno
EukaryotaMalassezia Sympodialismodified Dixon agarHS-SPME/GC-MSno
ProkaryotaMoraxella Catarrhalisblood cultureSPME/GC-MS no
ProkaryotaHaemophilus Influenzaeblood cultureSPME/GC-MS no
ProkaryotaLegionella Pneumophilablood cultureSPME/GC-MS no
EukaryotaTrichoderma VirideMalt extract/Low mediumGC/MSno
ProkaryotaMoraxella Catarrhalisblood culture mediumSPME-GC-MSno
ProkaryotaHaemophilus Influenzaeblood culture mediumSPME-GC-MSno
ProkaryotaLegionella Pneumophilablood culture mediumSPME-GC-MSno
ProkaryotaBurkholderia TropicaPotato dextrose agarHeadspace trapping/ GC-MSno
Mycobacterium UlceransNAGCMS–GP2010no


Cyclohexane

Mass-Spectra

Compound Details

Synonymous names
CYCLOHEXANE
110-82-7
Hexamethylene
Hexahydrobenzene
Hexanaphthene
Cyclohexan
Cykloheksan
Benzene, hexahydro-
Cicloesano
Cyclohexaan
Benzenehexahydride
Ciclohexano
RCRA waste number U056
Acid red 300
Caswell No. 269
hexahydro-Benzene
HSDB 60
CCRIS 3928
cyclo-hexane
NSC 406835
EINECS 203-806-2
UNII-48K5MKG32S
EPA Pesticide Chemical Code 025901
NSC-406835
48K5MKG32S
DTXSID4021923
CHEBI:29005
AI3-08222
MFCD00003814
12217-02-6
DTXCID701923
EC 203-806-2
68512-15-2
Cyclohexane, HPLC Grade
CYCLOHEXANE (MART.)
CYCLOHEXANE [MART.]
Cyclohexaan [Dutch]
Cyclohexan [German]
Cicloesano [Italian]
Cykloheksan [Polish]
Cyclohexane, ACS reagent, >=99%
Cyclohexane, for HPLC, >=99.7%
Benzene hexahydride
UN1145
RCRA waste no. U056
cylcohexane
cylohexane
Cyclohexane, puriss. p.a., ACS reagent, >=99.5% (GC)
Zyklohexan
68411-76-7
Cyclohexane HPLC grade
Cyclohexane, for HPLC
Cyclohexane, ACS Grade
CYCLOHEXANE [MI]
CYCLOHEXANE [FCC]
CYCLOHEXANE [HSDB]
CYCLOHEXANE [INCI]
bmse000545
WLN: L6TJ
CYCLOHEXANE [USP-RS]
ghl.PD_Mitscher_leg0.242
Cyclohexane, LR, >=99%
CHEMBL15980
Cyclohexane, JIS special grade
Cyclohexane, analytical standard
Cyclohexane, p.a., 99.0%
Cyclohexane, anhydrous, 99.5%
Cyclohexane, AR, >=99.5%
DTXSID70185595
AMY11047
BCP08072
Tox21_201087
NSC406835
STL283116
Cyclohexane, >=99.5%, PRA grade
Cyclohexane, for HPLC, >=99.9%
AKOS000119975
Cyclohexane, HPLC grade, >=99.9%
MCULE-3136361765
UN 1145
Cyclohexane 2000 microg/mL in Methanol
NCGC00248918-01
NCGC00258639-01
CAS-110-82-7
Cyclohexane, puriss., >=99.5% (GC)
Cyclohexane, SAJ first grade, >=99.0%
Cyclohexane, Laboratory Reagent, >=99.8%
Cyclohexane, p.a., ACS reagent, 99.0%
Cyclohexane [UN1145] [Flammable liquid]
Cyclohexane, UV HPLC spectroscopic, 99.5%
for HPLC, inverted exclamation markY99.9%
NS00003725
Cyclohexane, ACS spectrophotometric grade, >=99%
Q211433
InChI=1/C6H12/c1-2-4-6-5-3-1/h1-6H
Cyclohexane, HPLC UV/IR isocratic grade, min. 99.9%
ASTM Method D5191 Vapor Pressure - 22.5 kPa (3.26 psi)
Cyclohexane, Pharmaceutical Secondary Standard; Certified Reference Material
Microorganism:

Yes

IUPAC namecyclohexane
SMILESC1CCCCC1
InchiInChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2
FormulaC6H12
PubChem ID8078
Molweight84.16
LogP3.4
Atoms6
Bonds0
H-bond Acceptor0
H-bond Donor0
Chemical Classificationalkanes cycloalkanes
CHEBI-ID29005
Supernatural-IDSN0427404

mVOC Specific Details

Boiling Point
DegreeReference
80.7 °C peer reviewed
Volatilization
The Henry's Law constant for cyclohexane has been measured as 0.15 atm-cu m/mole at 25 deg C(1). This Henry's Law constant indicates that cyclohexane is expected to volatilize rapidly from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as 2.7 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 3.6 days(SRC). Cyclohexane's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Cyclohexane is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 96.9 mm Hg(3).
Literature: (1) Bocek K; Experientia, Suppl 23: 231-40 (1976) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Chao J et al; J Phys Chem Ref Data 12: 1033-63 (1983)
Soil Adsorption
Based on measured sorption isotherms in a high-organic soil(1), the Koc of cyclohexane can be estimated to be about 350(SRC). Using a structure estimation method based on molecular connectivity indices(2), the Koc for cyclohexane can be estimated to be about 150(SRC). According to a classification scheme(3), these estimated Koc values suggest that cyclohexane is expected to have moderate mobility in soil(SRC).
Literature: (1) Xia G, Pignatello JJ; Environ Sci Technol 35: 84-94 (2001) (2) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.11. Nov, 2012. Available from, as of June 11, 2014: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (3) Swann RL et al; Res Rev 85: 23 (1983)
Vapor Pressure
PressureReference
96.9 mm Hg at 25 deg CChao J et al; J Phys Chem Ref Data 12: 1033-63 (1983)
MS-Links
1D-NMR-Links
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaBacillus Amyloliquefaciensn/aNALee et al. 2012
ProkaryotaBacillus Subtilisn/aNALee et al. 2012
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaBacillus AmyloliquefaciensTryptic soy agarSPME coupled with GC-MSno
ProkaryotaBacillus SubtilisTryptic soy agarSPME coupled with GC-MSno


Bicyclo[2.1.0]pentane

Compound Details

Synonymous names
Bicyclo[2.1.0]pentane
housane
185-94-4
BICYCLO(2.1.0)PENTANE
BICYCLO[2,1,0]PENTANE
WAV92PJQ5F
CHEBI:49287
DTXSID90870491
MHLPKAGDPWUOOT-UHFFFAOYSA-N
Q248842
Microorganism:

Yes

IUPAC namebicyclo[2.1.0]pentane
SMILESC1CC2C1C2
InchiInChI=1S/C5H8/c1-2-5-3-4(1)5/h4-5H,1-3H2
FormulaC5H8
PubChem ID9101
Molweight68.12
LogP1.9
Atoms5
Bonds0
H-bond Acceptor0
H-bond Donor0
Chemical Classificationalkanes cycloalkanes
CHEBI-ID49287

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaBacillus AmyloliquefaciensNAMülner et al. 2020
ProkaryotaBacillus Velezensisgrowth stimulation effects on Solanum tuberosum tubers (potato) and Zea mays seeds (maize)NAMülner et al. 2020
ProkaryotaPseudomonas FluorescensNACheng et al. 2016
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaBacillus Amyloliquefaciensnutrient agarHS-SPME/GC-MSno
ProkaryotaBacillus Velezensisnutrient agarHS-SPME/GC-MSno
ProkaryotaPseudomonas FluorescensKings B + rif,+kann; PDA GC-Q-TOF-MSno


Cyclobutane

Compound Details

Synonymous names
CYCLOBUTANE
287-23-0
Tetramethylene
UNII-5X619RB2CY
HSDB 58
5X619RB2CY
EINECS 206-014-5
DTXSID2059772
CHEBI:30377
cyclobutyl
UN2601
Cyclobutane [UN2601] [Flammable gas]
CYCLOBUTANE [MI]
cyclobutane, tetramethylene
CYCLOBUTANE [HSDB]
DTXCID6037853
DTXSID90196522
AKOS003632078
UN 2601
DB-307768
NS00021102
InChI=1/C4H8/c1-2-4-3-1/h1-4H
Q80232
7236-82-0
Microorganism:

No

IUPAC namecyclobutane
SMILESC1CCC1
InchiInChI=1S/C4H8/c1-2-4-3-1/h1-4H2
FormulaC4H8
PubChem ID9250
Molweight56.11
LogP2.5
Atoms4
Bonds0
H-bond Acceptor0
H-bond Donor0
Chemical Classificationsaturated hydrocarbons cycloalkanes
CHEBI-ID30377
Supernatural-IDSN0289577

mVOC Specific Details

Boiling Point
DegreeReference
13.08 °C peer reviewed
Volatilization
The Henry's Law constant for cyclobutane is estimated as 0.14 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This value indicates that cyclobutane is expected to volatilize rapidly from water surfaces(2,SRC). Based on this Henry's Law constant, the estimated volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec) is approximately 2 hours(2,SRC). The estimated volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec) is approximately 3 days(2,SRC). Cyclobutane's Henry's Law constant(1) indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of cyclobutane from dry soil surfaces may exist(SRC) based on a vapor pressure of 1.18X10+3 mm Hg(3).
Soil Adsorption
Using a structure estimation method based on molecular connectivity indices(1), the Koc for cyclobutane can be estimated to be about 49(SRC). According to a classification scheme(2), this estimated Koc value suggests that cyclobutane is expected to have very high mobility in soil(SRC).

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
Aspergillus FlavusKate et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
Aspergillus Flavusinoculated potato samplesGC-MSno


Cyclododecane

Compound Details

Synonymous names
CYCLODODECANE
294-62-2
Cyclododecan
DTXSID9021552
97CN13ZD83
MFCD00014258
EINECS 206-033-9
HSDB 5557
BRN 1901008
UNII-97CN13ZD83
EC 206-033-9
CYCLODODECANE [HSDB]
4-05-00-00169 (Beilstein Handbook Reference)
DTXCID401552
CHEMBL3185808
Tox21_202734
AKOS006227986
MCULE-7420288531
NCGC00260282-01
AS-56381
CAS-294-62-2
SY053627
DB-047586
CS-0155296
NS00002938
D89269
Q118040
InChI=1/C12H24/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-12H
Microorganism:

Yes

IUPAC namecyclododecane
SMILESC1CCCCCCCCCCC1
InchiInChI=1S/C12H24/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-12H2
FormulaC12H24
PubChem ID9268
Molweight168.32
LogP6.7
Atoms12
Bonds0
H-bond Acceptor0
H-bond Donor0
Chemical Classificationcycloalkanes saturated hydrocarbons
Supernatural-IDSN0063088

mVOC Specific Details

Boiling Point
DegreeReference
247 °C peer reviewed
Volatilization
The Henry's Law constant for cyclododecane is estimated as 1.54 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that cyclododecane is expected to volatilize rapidly from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as 4 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 5 days(SRC). However, volatilization from water surfaces is expected to be attenuated by adsorption to suspended solids and sediment in the water column. The estimated volatilization half-life from a model pond is 9 years if adsorption is considered. Cyclododecane's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Cyclododecane is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 0.029 mm Hg(SRC), determined from a fragment constant method(4).
Soil Adsorption
Using a structure estimation method based on molecular connectivity indices(1), the Koc of cyclododecane can be estimated to be 5,300(SRC). According to a classification scheme(2), this estimated Koc value suggests that cyclododecane is expected to be immobile in soil.
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaBacillus SubtilisNANALee et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaBacillus SubtilisTryptone soy broth (TSB)HPLCno


1,4-dimethylcyclohexane

Compound Details

Synonymous names
1,4-DIMETHYLCYCLOHEXANE
cis-1,4-Dimethylcyclohexane
trans-1,4-Dimethylcyclohexane
624-29-3
589-90-2
2207-04-7
Cyclohexane, 1,4-dimethyl-, cis-
Hexahydroxylene
trans-Hexahydro-p-xylene
1,cis-4-Dimethylcyclohexane
Cyclohexane, 1,4-dimethyl-
Cyclohexane, 1,4-dimethyl-, trans-
1,trans-4-Dimethylcyclohexane
1,4-Dimethylcyclohexane, trans-
8NUV3O4B1R
(1S,4S)-1,4-DIMETHYLCYCLOHEXANE
1,4-Dimethylcyclohexane, cis-
NSC-74160
NSC-74162
417GE5869Y
(1R,4R)-1,4-DIMETHYLCYCLOHEXANE
t-1,4-Dimethylcyclohexane
Cyclohexane, trans-1,4-dimethyl-
UNII-4C75P10R7G
UNII-417GE5869Y
1,4-Dimethylcyclohexane, (Z)-
Hexahydro-p-xylene
EINECS 209-663-2
EINECS 210-840-1
p-Dimethylcyclohexane
NSC 44845
NSC 74162
cis-p-hexahydroxylene
cis-hexahydro-p-xylene
trans-p-hexahydroxylene
1,4-dimethyl cyclohexane
1,4-dimethyl-cyclohexane
UNII-8NUV3O4B1R
1,4(cis)-dimethylcyclohexane
(Z)-1,4-dimethylcyclohexane
WLN: L6TJ A1 D1
1,4(trans)-dimethylcyclohexane
Cyclohexane,4-dimethyl-, cis-
Trans-1,4 dimethyl cyclohexane
DTXSID5075284
Cyclohexane, cis-1,4-dimethyl-
Cyclohexane,4-dimethyl-, trans-
CHEBI:165732
CHEBI:167602
CHEBI:167603
4C75P10R7G
DTXSID301025608
DTXSID401015836
DTXSID401294608
NSC44845
NSC74160
NSC74162
cis-1,4-Dimethylcyclohexane, 99%
EINECS 218-622-8
LMFA11000638
MFCD00001508
MFCD00064174
MFCD00064955
NSC 74160
NSC-44845
AKOS015913044
AKOS015915844
AKOS024319569
Methyl, (4-methylcyclohexyl)-, cis-
MCULE-8970080763
TRANS-1,4-DIMETHYL-CYCLOHEXANE
1,4-DIMETHYLCYCLOHEXANE (TRANS)
AS-46786
BS-52912
LS-13501
CYCLOHEXANE, 1,4-DIMETHYL-, (E)
CYCLOHEXANE, 1,4-DIMETHYL-, (Z)
DB-054159
CS-0199036
CS-0454408
D0271
D0700
D1715
NS00034057
NS00080358
NS00083319
D89704
D89914
F10496
trans-1,4-Dimethylcyclohexane, >=98.0% (GC)
J-014464
Q27258413
Q27270796
98105-53-4
Microorganism:

Yes

IUPAC name1,4-dimethylcyclohexane
SMILESCC1CCC(CC1)C
InchiInChI=1S/C8H16/c1-7-3-5-8(2)6-4-7/h7-8H,3-6H2,1-2H3
FormulaC8H16
PubChem ID11523
Molweight112.21
LogP3.8
Atoms8
Bonds0
H-bond Acceptor0
H-bond Donor0
Chemical Classificationsaturated hydrocarbons cycloalkanes
CHEBI-ID165732
Supernatural-IDSN0313255

mVOC Specific Details

Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaMycobacterium TuberculosisNANAPhillips et al. 2007
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaMycobacterium TuberculosisVersaTREKTD/GC-MSno


1,1-dimethylcyclopentane

Compound Details

Synonymous names
1,1-DIMETHYLCYCLOPENTANE
1638-26-2
gem-Dimethylcyclopentane
Cyclopentane, 1,1-dimethyl-
NSC 74145
HEN90T1I69
EINECS 216-673-0
NSC-74145
1,1-dimethyl-cyclopentane
UNII-HEN90T1I69
1,1-DIMETHYLCYCOPENTANE
DTXSID00167662
NSC74145
gemDimethylcyclopentane
Cyclopentane,1-dimethyl-
11,1 -Dimethylcyclopentane
ghl.PD_Mitscher_leg0.791
DTXCID7090153
Cyclopentane, 1,1dimethyl (8CI)
Cyclopentane, 1,1-dimethyl-(8CI)
AKOS006272659
Cyclopentane, 1,1dimethyl (8CI)(9CI)
Cyclopentane, 1,1-dimethyl-(8CI)(9CI)
NS00025348
EN300-7577228
Cyclopentane, 1,1-dimethyl-; 1,1-Dimethylcyclopentane; 1,1-Dimethylcycopentane; NSC 74145; gem-Dimethylcyclopentane
Microorganism:

Yes

IUPAC name1,1-dimethylcyclopentane
SMILESCC1(CCCC1)C
InchiInChI=1S/C7H14/c1-7(2)5-3-4-6-7/h3-6H2,1-2H3
FormulaC7H14
PubChem ID15421
Molweight98.19
LogP3.4
Atoms7
Bonds0
H-bond Acceptor0
H-bond Donor0
Chemical Classificationsaturated hydrocarbons cycloalkanes
Supernatural-IDSN0316938

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
Mycobacterium UlceransChudy et al. 2024
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
Mycobacterium UlceransNAGCMS–GP2010no


1,2,3-trimethylcyclohexane

Mass-Spectra

Compound Details

Synonymous names
1,2,3-TRIMETHYLCYCLOHEXANE
1678-97-3
Cyclohexane, 1,2,3-trimethyl-
cis,cis,cis-1,2,3-Trimethylcyclohexane
1678-81-5
Cyclohexane, 1,2,3-trimethyl-, (1.alpha.,2.alpha.,3.alpha.)-
1,2,3-Trimethylcyclohexane,cis
cis-1,2,3-Trimethylcyclohexane
1,cis-2,cis-3-Trimethylcyclohexane
Cyclohexane, 1,2,3-trimethyl-, cis
EINECS 216-838-7
1,2,3-Trimethylcyclohexane-, (1.alpha.,2.alpha.,3.alpha.)- #
DTXSID10862732
BAA67897
MFCD00045496
DB-043719
NS00046104
T0824
T71900
Microorganism:

Yes

IUPAC name1,2,3-trimethylcyclohexane
SMILESCC1CCCC(C1C)C
InchiInChI=1S/C9H18/c1-7-5-4-6-8(2)9(7)3/h7-9H,4-6H2,1-3H3
FormulaC9H18
PubChem ID15507
Molweight126.24
LogP4
Atoms9
Bonds0
H-bond Acceptor0
H-bond Donor0
Chemical Classificationcycloalkanes saturated hydrocarbons
Supernatural-IDSN0072944

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaPseudomonas Fluorescensnafrom geo-authentic Atractylodes lanceaZhou et al. 2016
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaPseudomonas FluorescensMS rooting agarGC/MS + comparison to NISTno


Octylcyclohexane

Mass-Spectra

Compound Details

Synonymous names
n-Octylcyclohexane
Octylcyclohexane
1795-15-9
Cyclohexane, octyl-
1-CYCLOHEXYLOCTANE
Octane, 1-cyclohexyl-
WN5PG18MPD
NSC-174942
EINECS 217-271-8
NSC174942
NSC 174942
Cyclohexane, n-octyl-
UNII-WN5PG18MPD
DTXSID3061972
CHEBI:207969
BAA79515
MFCD00039464
AKOS030574082
AS-47896
DB-044367
CS-0205156
NS00021767
O0138
F16716
Microorganism:

Yes

IUPAC nameoctylcyclohexane
SMILESCCCCCCCCC1CCCCC1
InchiInChI=1S/C14H28/c1-2-3-4-5-6-8-11-14-12-9-7-10-13-14/h14H,2-13H2,1H3
FormulaC14H28
PubChem ID15712
Molweight196.37
LogP7.3
Atoms14
Bonds7
H-bond Acceptor0
H-bond Donor0
Chemical Classificationcycloalkanes saturated hydrocarbons
CHEBI-ID207969
Supernatural-IDSN0081534

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaCollimonas Fungivoransn/aNAGarbeva et al. 2014
ProkaryotaCollimonas Pratensisn/aNAGarbeva et al. 2014
ProkaryotaSerratia Plymuthicanamaize rhizosphere, NetherlandsGarbeva et al. 2014
ProkaryotaPaenibacillus Sp.narhizosphere of Marram grass in sandy dune soils, NetherlandsGarbeva et al. 2014
ProkaryotaPedobacter Sp.narhizosphere of Marram grass in sandy dune soils, NetherlandsGarbeva et al. 2014
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaCollimonas Fungivoranssand supplemented with artificial root exudatesHeadspace trapping/GC-MSno
ProkaryotaCollimonas Pratensissand supplemented with artificial root exudatesHeadspace trapping/GC-MSno
ProkaryotaSerratia Plymuthicasand containing artificial root exudatesGC/MSno
ProkaryotaPaenibacillus Sp.sand containing artificial root exudatesGC/MSno
ProkaryotaPedobacter Sp.sand containing artificial root exudatesGC/MSno


Propylcyclopentane

Compound Details

Synonymous names
PROPYLCYCLOPENTANE
n-Propylcyclopentane
Cyclopentane, propyl-
2040-96-2
1-Cyclopentylpropane
4Q1SP7J9BM
NSC-73947
EINECS 218-042-5
NSC 73947
BRN 1900338
propyl-cyclopentane
NSC73947
1-propylcyclopentane
Cyclopentane, n-propyl-
UNII-4Q1SP7J9BM
WLN: L5TJ A3
4-05-00-00125 (Beilstein Handbook Reference)
DTXSID60174352
MFCD00039449
AKOS024319568
MCULE-3117546331
DB-045208
NS00026621
InChI=1/C8H16/c1-2-5-8-6-3-4-7-8/h8H,2-7H2,1H
Microorganism:

Yes

IUPAC namepropylcyclopentane
SMILESCCCC1CCCC1
InchiInChI=1S/C8H16/c1-2-5-8-6-3-4-7-8/h8H,2-7H2,1H3
FormulaC8H16
PubChem ID16270
Molweight112.21
LogP4
Atoms8
Bonds2
H-bond Acceptor0
H-bond Donor0
Chemical Classificationcycloalkanes saturated hydrocarbons
Supernatural-IDSN0182507

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaMalassezia GlobosaFungal Biodiversity Center (WesterdijkInstitute, Utrecht, The Netherlands)Rios-Navarro et al. 2023
EukaryotaMalassezia RestrictaFungal Biodiversity Center (WesterdijkInstitute, Utrecht, The Netherlands)Rios-Navarro et al. 2023
EukaryotaMalassezia SympodialisFungal Biodiversity Center (WesterdijkInstitute, Utrecht, The Netherlands)Rios-Navarro et al. 2023
EukaryotaSaccharomyces CerevisiaeNANAHarris et al. 2021
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaMalassezia Globosamodified Dixon agarHS-SPME/GC-MSno
EukaryotaMalassezia Restrictamodified Dixon agarHS-SPME/GC-MSno
EukaryotaMalassezia Sympodialismodified Dixon agarHS-SPME/GC-MSno
EukaryotaSaccharomyces Cerevisiaemalt extract brothHS-SPME with GC-MSno


1,3-dimethylcyclopentane

Compound Details

Synonymous names
1,3-DIMETHYLCYCLOPENTANE
Cyclopentane, 1,3-dimethyl-
2453-00-1
EINECS 219-521-1
DTXSID10871849
Cyclopentane,1,3-dimethyl-
1,3Dimethyl cyclopentane
1,3-dimethyl-cyclopentane
DTXCID10819468
AKOS006227861
TRANS-1,3-DIMETHYL-CYCLOPENTANE
NS00083112
Microorganism:

Yes

IUPAC name1,3-dimethylcyclopentane
SMILESCC1CCC(C1)C
InchiInChI=1S/C7H14/c1-6-3-4-7(2)5-6/h6-7H,3-5H2,1-2H3
FormulaC7H14
PubChem ID17149
Molweight98.19
LogP3.2
Atoms7
Bonds0
H-bond Acceptor0
H-bond Donor0
Chemical Classificationsaturated hydrocarbons cycloalkanes
Supernatural-IDSN0425292

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
Mycobacterium UlceransChudy et al. 2024
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
Mycobacterium UlceransNAGCMS–GP2010no


Propan-2-ylcyclopentane

Compound Details

Synonymous names
ISOPROPYLCYCLOPENTANE
3875-51-2
Cyclopentane, isopropyl-
Cyclopentane, (1-methylethyl)-
Propane, 2-cyclopentyl-
Propan-2-ylcyclopentane
(1-methylethyl)cyclopentane
NSC-73948
NSC73948
EINECS 223-397-4
NSC 73948
MGD62XB9AE
(Propan-2-yl)cyclopentane
DTXSID90192029
MFCD00045422
AKOS024015225
MCULE-4905120936
DB-049328
I0647
NS00030457
T72412
Microorganism:

Yes

IUPAC namepropan-2-ylcyclopentane
SMILESCC(C)C1CCCC1
InchiInChI=1S/C8H16/c1-7(2)8-5-3-4-6-8/h7-8H,3-6H2,1-2H3
FormulaC8H16
PubChem ID19751
Molweight112.21
LogP3.8
Atoms8
Bonds1
H-bond Acceptor0
H-bond Donor0
Chemical Classificationcycloalkanes saturated hydrocarbons
Supernatural-IDSN0361279

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


Hexylcyclohexane

Mass-Spectra

Compound Details

Synonymous names
Hexylcyclohexane
4292-75-5
n-Hexylcyclohexane
Cyclohexane, hexyl-
1-CYCLOHEXYLHEXANE
Hexane, 1-cyclohexyl-
Cyclohexane, n-hexyl-
BNS1DVW87A
NSC-95433
1-Hexylcyclohexane
NSC95433
EINECS 224-294-7
NSC 95433
UNII-BNS1DVW87A
1-HEXYL-CYCLOHEXENE
DTXSID7063398
MFCD00019403
AKOS024332813
MCULE-5596413302
LS-14155
DB-050993
CS-0452443
H0137
NS00031265
D90805
Q63398940
InChI=1/C12H24/c1-2-3-4-6-9-12-10-7-5-8-11-12/h12H,2-11H2,1H
Microorganism:

Yes

IUPAC namehexylcyclohexane
SMILESCCCCCCC1CCCCC1
InchiInChI=1S/C12H24/c1-2-3-4-6-9-12-10-7-5-8-11-12/h12H,2-11H2,1H3
FormulaC12H24
PubChem ID20283
Molweight168.32
LogP6.2
Atoms12
Bonds5
H-bond Acceptor0
H-bond Donor0
Chemical Classificationcycloalkanes saturated hydrocarbons
Supernatural-IDSN0305823

mVOC Specific Details

Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaPythium OligandrumN/APythium oligandrum GAQ1 strain was isolated from soil from a field where infected ginger was growing in Laiwu district, Jinan City, Shandong Province, China. China General Microbiological Culture Collection Center (CGMCC) deposit number No. 17470.Sheikh et al. 2023
ProkaryotaCollimonas Fungivoransn/aNAGarbeva et al. 2014
ProkaryotaCollimonas Pratensisn/aNAGarbeva et al. 2014
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaPythium OligandrumV8 juice agarSPME/GC-MS/MSno
ProkaryotaCollimonas Fungivoranssand supplemented with artificial root exudatesHeadspace trapping/GC-MSno
ProkaryotaCollimonas Pratensissand supplemented with artificial root exudatesHeadspace trapping/GC-MSno


Icosylcyclohexane

Mass-Spectra

Compound Details

Synonymous names
Icosylcyclohexane
Cyclohexane, eicosyl-
4443-55-4
Eicosane, 1-cyclohexyl-
n-Eicosylcyclohexane
1-Cyclohexyleicosane
Icosylcyclohexane #
NSC163587
starbld0016655
EICOSYLCYCLOHEXANE
DTXSID1075064
PSPNTGGVAYLSJO-UHFFFAOYSA-N
NSC 163587
NSC-163587
NS00076497
Microorganism:

Yes

IUPAC nameicosylcyclohexane
SMILESCCCCCCCCCCCCCCCCCCCCC1CCCCC1
InchiInChI=1S/C26H52/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23-26-24-21-19-22-25-26/h26H,2-25H2,1H3
FormulaC26H52
PubChem ID20511
Molweight364.7
LogP13.8
Atoms26
Bonds19
H-bond Acceptor0
H-bond Donor0
Chemical Classificationcycloalkanes saturated hydrocarbons
Supernatural-IDSN0294110

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaPseudomonas Putidanablack pepper rootSheoran et al. 2015
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaPseudomonas PutidaLuria Bertani AgarSolvent extraction with hexane, GC/MSno


1-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

Compound Details

Synonymous names
1-Methyldecahydronaphthalene
2958-75-0
DECAHYDRO-1-METHYLNAPHTHALENE
Methyldecalin
1-Methyldecalin
NAPHTHALENE, DECAHYDROMETHYL-
trans-2-Methyl-decahydronaphthalene
1-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
28258-89-1
Methyldekalin [Czech]
Methyldekalin
Decahydromethylnaphthalene
alpha-Methyldecalin
trans-2-Methyldecalin
1-methyldecaline
14398-67-5
4683-95-8
1-METHYL-DECAHYDRONAPHTHALENE
.alpha.-Methyldecalin
DTXSID70880795
NHCREQREVZBOCH-UHFFFAOYSA-N
Naphthalene, decahydro-1-methyl-, (1alpha,4aalpha,8abeta)-
Naphthalene, decahydro-1-methyl-, (1alpha,4abeta,8aalpha)-
AKOS006293412
DB-238287
NS00096191
(1E)-N-HYDROXY-2-PHENYLETHANIMIDAMIDE
Naphthalene,decahydro-1-methyl-(1.alpha.,4a.alpha.,8a.beta.
Naphthalene,decahydro-1-methyl-(1.alpha.,4a.beta.,8a.alpha.
Microorganism:

Yes

IUPAC name1-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESCC1CCCC2C1CCCC2
InchiInChI=1S/C11H20/c1-9-5-4-7-10-6-2-3-8-11(9)10/h9-11H,2-8H2,1H3
FormulaC11H20
PubChem ID34193
Molweight152.28
LogP4.9
Atoms11
Bonds0
H-bond Acceptor0
H-bond Donor0
Chemical Classificationsaturated hydrocarbons cycloalkanes
Supernatural-IDSN0245366

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaMycobacterium TuberculosisNANAPhillips et al. 2007
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaMycobacterium TuberculosisVersaTREKTD/GC-MSno


1,1,2,2-tetramethylcyclopropane

Compound Details

Synonymous names
1,1,2,2-Tetramethylcyclopropane
4127-47-3
Cyclopropane, 1,1,2,2-tetramethyl-
EINECS 223-937-9
JCHUCGKEGUAHEH-UHFFFAOYSA-
DTXSID90194184
MFCD00060790
AKOS015842166
1,1,2,2-TETRAMETHYL-CYCLOPROPANE
NS00030954
T1721
D92513
InChI=1/C7H14/c1-6(2)5-7(6,3)4/h5H2,1-4H3
Microorganism:

Yes

IUPAC name1,1,2,2-tetramethylcyclopropane
SMILESCC1(CC1(C)C)C
InchiInChI=1S/C7H14/c1-6(2)5-7(6,3)4/h5H2,1-4H3
FormulaC7H14
PubChem ID77778
Molweight98.19
LogP2.9
Atoms7
Bonds0
H-bond Acceptor0
H-bond Donor0
Chemical Classificationcycloalkanes saturated hydrocarbons

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