Results for:
Species: Bacillus strain D13

Hexadecanoic Acid

Mass-Spectra

Compound Details

Synonymous names
pentadecanecarboxylate
Pentadecanecarboxylic acid
Palmitinsaeure
Palmiticacid
Hexadecoate
Palmitinate
palmitoate
Calcium palmitate
Hexadecanoic acid
Hydrofol
IPCSVZSSVZVIGE-UHFFFAOYSA-N
palmitate
hexadecoic acid
Hexadecylic acid
hexaectylic acid
Palmitinic acid
1-Pentadecanecarboxylic acid
Hexadecanoic acid anion
Hexadecanoic acid Palmitic acid
n-hexadecoate
palmitic acid
palmitoic acid
1-hexyldecanoate
Cetylic acid
FAT
palmic acid
Palmitic acid_RaGuSa
PLM
Fatty acid pathway
n-Hexadecanoic acid
Palmitic acid_jeyam
2hmb
2hnx
n-Hexadecoic acid
Palmitic acid, analytical standard
1-Hexyldecanoic Acid
ACMC-1ASQF
3v2q
AC1L1AH2
Palmitic acid, pure
Edenor C16
SCHEMBL6177
1b56
GTPL1055
I728
KSC270O2R
Palmitic acid 95%
C16 fatty acid
CHEMBL82293
Emersol 140
Emersol 143
Industrene 4516
NSC5030
Palmitic acid (natural)
Pristerene 4934
Univol U332
CTK1H0728
HMDB00220
Hystrene 8016
Hystrene 9016
Kortacid 1695
Kortacid 1698
Lunac P 95KC
N2456
P0002
P1145
QSPL 166
DB03796
Glycon P-45
Hexadecanoic acid (9CI)
Lunac P 95
Lunac P 98
P5585_SIGMA
PA 900
Palmitic acid (NF)
Palmitic acid, >=99%
Prifac 2960
Prifrac 2960
RP29137
2V16EO95H1
bmse000590
C00249
C16:0
CCRIS 5443
D05341
HMS3649N08
HSDB 5001
Hydrofol Acid 1690
Loxiol EP 278
Palmitic acid, European Pharmacopoeia (EP) Reference Standard
WLN: QV15
BBL011563
DNC005038
DTXSID2021602
FA 1695
LP002534
LS-2331
NSC 5030
NSC-5030
Palmitic acid [USAN:NF]
SBB017229
ST023798
STL146733
CHEBI:15756
DSSTox_CID_1602
Palmitic acid, certified reference material, TraceCERT(R)
Palmitic acid, pharmaceutical secondary standard; traceable to USP and PhEur
Palmitic acid, United States Pharmacopeia (USP) Reference Standard
UNII-2V16EO95H1
ZINC6072466
AB1002597
AK-48351
AN-23574
ANW-13574
DSSTox_GSID_21602
Palmitic acid, BioXtra, >=99%
SC-81752
(C14-C18)Alkylcarboxylic acid
BB_SC-9400
BDBM50152850
DSSTox_RID_76229
LMFA01010001
MFCD00002747
AI3-01594
RTC-060456
SEL10404124
ST24025707
TC-060456
AKOS005720983
BB_SC-09400
Epitope ID:141181
Palmitic acid (7CI,8CI)
S04-0102
BRN 0607489
FEMA No. 2832
FT-0626965
(C14-C18) Alkylcarboxylic acid
57-10-3
Palmitic acid, Grade II, ~95%
Z955123552
Fatty acids, C14-18
Tox21_112105
Tox21_201671
Tox21_302966
C16:0 (Lipid numbers)
CH3-[CH2]14-COOH
CAS-57-10-3
Palmitic acid, natural, 98%, FG
8045-38-3
MCULE-1361949901
NCGC00164358-01
NCGC00164358-02
NCGC00164358-03
NCGC00256424-01
NCGC00259220-01
Palmitic acid, >=95%, FCC, FG
Palmitic acid, for synthesis, 98.0%
Sodium Palmitate, Palmitic acid sodium salt, Sodium hexadecanoate, Sodium pentadecanecarboxylate, HSDB 759
EINECS 200-312-9
EINECS 266-926-4
Palmitic acid, >=98% palmitic acid basis (GC)
Palmitic acid, 95% 500g
60605-23-4
66321-94-6
67701-02-4
Palmitic acid, SAJ first grade, >=95.0%
Palmitic acid, Vetec(TM) reagent grade, 98%
SDA 17-005-00
SR-01000944716
Tox21_112105_1
116860-99-2
212625-86-0
MolPort-001-780-241
Palmitic acid, purum, >=98.0% (GC)
SR-01000944716-1
Light end (C14-C18) saturated fatty acid fraction from tallow fatty acids
4-02-00-01157 (Beilstein Handbook Reference)
BA71C79B-C9B1-451A-A5BE-B480B5CC7D0C
Microorganism:

Yes

IUPAC namehexadecanoic acid
SMILESCCCCCCCCCCCCCCCC(=O)O
InchiInChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)
FormulaC16H32O2
PubChem ID985
Molweight256.43
LogP6.26
Atoms50
Bonds49
H-bond Acceptor2
H-bond Donor1
Chemical ClassificationAcids carboxylic acids

mVOC Specific Details

Volatilization
An estimated pKa of 4.7(1) for palmitic acid indicates palmitic acid will exist almost entirely in the anion form at pH values of 5 to 9 and therefore volatilization from water surfaces is not expected to be an important fate process(2). Palmitic acid is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 3.8X10-7 mm Hg(3).
Literature: (1) SPARC; pKa/property server. Ver 3. Jan, 2006. Available at http://ibmlc2.chem.uga.edu/sparc/ as of Mar 7, 2008. (2) Doucette WJ; pp. 141-188 in Handbook of Property Estimation Methods for Chemicals. Boethling RS, Mackay D, eds. Boca Raton, FL: Lewis Publ (2000) (3) Daubert TE, Danner RP; Physical & Thermodynamic Properties of Pure Chemicals 4 NY: Hemisphere Pub Corp (1989)
Soil Adsorption
The Koc of undissociated palmitic acid is estimated as 189,000(SRC), using a log Kow of 7.17(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that undissociated palmitic acid is expected to be immobile in soil. The estimated pKa of palmitic acid is 4.7(4), indicating that this compound will exist almost entirely in the anion form in the environment and anions generally do not adsorb more strongly to soils containing organic carbon and clay than their neutral counterparts(5).
Literature: (1) Sangster J; LOGKOW Databank. Sangster Res Lab Montreal Quebec, Canada (1994) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 4-9 (1990) (3) Swann RL et al; Res Rev 85: 17-28 (1983) (4) SPARC; pKa/property server. Ver 3. Jan, 2006. Available at http://ibmlc2.chem.uga.edu/sparc/ as of Mar 7, 2008. (5) Doucette WJ; pp. 141-188 in Handbook of Property Estimation Methods for Chemicals. Boethling RS, Mackay D, eds. Boca Raton, FL: Lewis Publ (2000)
Vapor Pressure
PressureReference
3.8X10-7 mm Hg at 25 deg CDaubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.
MS-Links
1D-NMR-Links

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaBacteroides Fragilis ATCC 25285n/aBrondz and Olsen, 1991
BacteriaBacteroides Gracilis CCUG 13143 (ATCC 33236)n/aBrondz and Olsen, 1991
BacteriaBacteroides Ureolyticus CCUG 7319 (ATCC 33387)n/aBrondz and Olsen, 1991
BacteriaCampylobacter Fetus Subsp. Venerealis CCUG 538 (ATCC 19438)n/aBrondz and Olsen, 1991
BacteriaMarine Streptomycete (isolate B6007)n/aStritzke et al., 2004
BacteriaPorphyromonas Endodontalis HG 181 (H 11a-e)n/aBrondz and Olsen, 1991
BacteriaPorphyromonas Endodontalis HG 182 (BN 11a-f)n/aBrondz and Olsen, 1991
BacteriaPorphyromonas Endodontalis HG 370 (ATCC 35406)n/aBrondz and Olsen, 1991
BacteriaPorphyromonas Endodontalis HG 412n/aBrondz and Olsen, 1991
BacteriaPrevotella Buccae ATCC 33574n/aBrondz and Olsen, 1991
BacteriaPrevotella Buccae ES12-Bn/aBrondz and Olsen, 1991
BacteriaPrevotella Buccae ES17-1n/aBrondz and Olsen, 1991
BacteriaPrevotella Buccae ES9-1n/aBrondz and Olsen, 1991
BacteriaPrevotella Disiens DSM 20516n/aBrondz and Olsen, 1991
BacteriaPrevotella Heparinolyticus ATCC 35895n/aBrondz and Olsen, 1991
BacteriaPrevotella Oralis ES14B-3An/aBrondz and Olsen, 1991
BacteriaPrevotella Oralis ES15-2n/aBrondz and Olsen, 1991
BacteriaPrevotella Oralis ES4-Bn/aBrondz and Olsen, 1991
BacteriaPrevotella Oris ATCC 33573n/aBrondz and Olsen, 1991
BacteriaPrevotella Oris ES14B-3An/aBrondz and Olsen, 1991
BacteriaPrevotella Oris ES9-3n/aBrondz and Olsen, 1991
BacteriaPrevotella Oris RPGn/aBrondz and Olsen, 1991
BacteriaPrevotella Veroralis ATCC 33779n/aBrondz and Olsen, 1991
BacteriaPseudomonas Simiae AUnarhizosphere of a soybean field in the province of Rajasthan, IndiaVaishnav et al., 2016
BacteriaWolinella Curva CCUG 13146 (ATCC 35224)n/aBrondz and Olsen, 1991
BacteriaWolinella Recta FDC 371 (ATCC 33238)n/aBrondz and Olsen, 1991
BacteriaWolinella Succinogenes CCUG 12550 (ATCC 29543)n/aBrondz and Olsen, 1991
FungiLentinula EdodesnanaÇağlarırmak et al., 2007
FungiPleurotus Sajor-cajunanaÇağlarırmak et al., 2007
FungiXylaria Sp.naHaematoxylon brasiletto, Morelos, MexicoSánchez-Ortiz et al., 2016
BacteriaBacillus Strain D13antibacterialsoil Malaysia and Tibet, China General Microbial culture center CGMCCXie et al. 2016
FungiPleurotus CystidiosusnanaUsami et al., 2014
FungiPleurotus Eryngii Var. TuoliensisnanaUsami et al., 2014
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaBacteroides Fragilis ATCC 25285n/an/a
BacteriaBacteroides Gracilis CCUG 13143 (ATCC 33236)n/an/a
BacteriaBacteroides Ureolyticus CCUG 7319 (ATCC 33387)n/an/a
BacteriaCampylobacter Fetus Subsp. Venerealis CCUG 538 (ATCC 19438)n/an/a
BacteriaMarine Streptomycete (isolate B6007)n/an/a
BacteriaPorphyromonas Endodontalis HG 181 (H 11a-e)n/an/a
BacteriaPorphyromonas Endodontalis HG 182 (BN 11a-f)n/an/a
BacteriaPorphyromonas Endodontalis HG 370 (ATCC 35406)n/an/a
BacteriaPorphyromonas Endodontalis HG 412n/an/a
BacteriaPrevotella Buccae ATCC 33574n/an/a
BacteriaPrevotella Buccae ES12-Bn/an/a
BacteriaPrevotella Buccae ES17-1n/an/a
BacteriaPrevotella Buccae ES9-1n/an/a
BacteriaPrevotella Disiens DSM 20516n/an/a
BacteriaPrevotella Heparinolyticus ATCC 35895n/an/a
BacteriaPrevotella Oralis ES14B-3An/an/a
BacteriaPrevotella Oralis ES15-2n/an/a
BacteriaPrevotella Oralis ES4-Bn/an/a
BacteriaPrevotella Oris ATCC 33573n/an/a
BacteriaPrevotella Oris ES14B-3An/an/a
BacteriaPrevotella Oris ES9-3n/an/a
BacteriaPrevotella Oris RPGn/an/a
BacteriaPrevotella Veroralis ATCC 33779n/an/a
BacteriaPseudomonas Simiae AUNutrient broth; King's B agarGC/MSNo
BacteriaWolinella Curva CCUG 13146 (ATCC 35224)n/an/a
BacteriaWolinella Recta FDC 371 (ATCC 33238)n/an/a
BacteriaWolinella Succinogenes CCUG 12550 (ATCC 29543)n/an/a
FungiLentinula EdodesnaGC/MSNo
FungiPleurotus Sajor-cajunaGC/MSNo
FungiXylaria Sp.PDA mediumSPME-GC/MSYes
BacteriaBacillus Strain D13LBSPME-GC-MSyes
FungiPleurotus CystidiosusnaGC/MS, GC-O, AEDANo
FungiPleurotus Eryngii Var. TuoliensisnaGC/MS, GC-O, AEDANo


Dodecanoic Acid

Mass-Spectra

Compound Details

Synonymous names
Dodecylcarboxylate
Laurinsaeure
laurostearate
dodecylate
Laurostearic acid
POULHZVOKOAJMA-UHFFFAOYSA-N
1-undecanecarboxylate
DODECANOIC ACID
Duodecyclic acid
Duodecylic acid
vulvate
Acide Laurique
dodecanic acid
Dodecoic acid
Dodecylic acid
n-Dodecanoate
1-Undecanecarboxylic acid
ABL
DAO
Dodecanoic Acid Anion
LAP
LAU
lauric acid
Vulvic acid
Dodecanoic acid, analytical standard
Lauric Acid Kosher
3uil
Dodecanoic acid, typically
n-Dodecanoic acid
ACMC-1BTHL
Coconut oil fatty acids
dilauric acid;
Undecane-1-carboxylic acid
AC1L1GY2
AC1Q5W8C
Dodecanoic acid(Lauric acid)
Lauric acid, pure
SCHEMBL5895
Dodecanoic (Lauric) acid
GTPL5534
KSC176I2N
Ninol AA62 Extra
C12 fatty acid
NSC5026
OA(1)ethEa
CCRIS 669
CTK0H6426
Dodecanoic acid (lauric acid)
Emery 650
Emery 651
HMDB00638
Hystrene 9512
Kortacid 1299
L0011
Lauric acid (natural)
Philacid 1200
Wecoline 1295
CHEMBL108766
Dodecanoic acid, 98%
Dodecanoic acid, 99%
Lauric Acid 652
LS-845
Lunac L 70
Lunac L 98
Neo-fat 12
OR55016
Prifac 2920
Prifrac 2920
1160N9NU9U
Aliphat No. 4
bmse000509
C02679
C12:0
D10714
HMS2268C14
HMS3649N06
HSDB 6814
Hydrofol acid 1255
Hydrofol acid 1295
Lauric acid (NF)
Nissan NAA 122
WLN: QV11
DTXSID5021590
Lauric acid, European Pharmacopoeia (EP) Reference Standard
LP003931
NSC-5026
SBB060023
ST023796
STL281860
Univol U 314
Univol U-314
C-1297
CHEBI:30805
DODECANOIC ACID (LAURIC ACID)
DSSTox_CID_1590
UNII-1160N9NU9U
ZINC1529498
AC-16451
AN-23253
ANW-20737
DSSTox_GSID_21590
EBD2203547
Lauric acid, United States Pharmacopeia (USP) Reference Standard
TRA0004834
Dodecanoic acid, >=99.5%
DSSTox_RID_76223
Lauric Acid, pharmaceutical secondary standard; traceable to USP, PhEur
LMFA01010012
MFCD00002736
AI3-00112
NCIOpen2_009480
RTR-035707
TR-035707
AKOS000277433
I04-1205
J-007739
BRN 1099477
Dodecanoic acid, >10% in a non hazardous diluent
Duodecylic acidC12:0 (Lipid numbers)
FEMA No. 2614
FT-0625572
MLS002177807
MLS002415737
Neo-fat 12-43
SMR001253907
Dodecanoic acid, >=99% (GC/titration)
Z966690584
Tox21_202149
Tox21_303010
143-07-7
CH3-[CH2]10-COOH
7632-48-6
8000-62-2
9054-63-1
Dodecanoic acid, 98% 500g
MCULE-2795129925
NCGC00090919-01
NCGC00090919-02
NCGC00090919-03
NCGC00256486-01
NCGC00259698-01
CAS-143-07-7
Edenor C 1298-100
EINECS 205-582-1
Lauric acid, >=98%, FCC, FG
203714-07-2
LAURIC ACID, 99.5% (GLC)
MolPort-000-881-524
629-25-4 (hydrochloride salt)
Lauric acid, natural, >=98%, FCC, FG
Dodecanoic acid, purum, >=96.0% (GC)
2437-23-2 (ammonium salt)
4040-48-6 (magnesium salt)
4696-56-4 (calcium salt)
10124-65-9 (potassium salt)
15337-60-7 (unspecified barium.cadmium salt)
14622-13-0 (lithium salt)
4-02-00-01082 (Beilstein Handbook Reference)
[2-((1-OXODODECANOXY-(2-HYDROXY-3-PROPANYL))-PHOSPHONATE-OXY)-ETHYL]-TRIMETHYLAMMONIUM
76C2A2EB-E8BA-40A6-8032-40A98625ED7B
InChI=1/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14
Microorganism:

Yes

IUPAC namedodecanoic acid
SMILESCCCCCCCCCCCC(=O)O
InchiInChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14)
FormulaC12H24O2
PubChem ID3893
Molweight200.322
LogP4.48
Atoms38
Bonds37
H-bond Acceptor2
H-bond Donor1
Chemical ClassificationAcids carboxylic acids

mVOC Specific Details

Volatilization
A pKa of 5.3(1) indicates dodecanoic acid will exist almost entirely in the anion form at pH values of 5 to 9 and therefore volatilization from water surfaces and moist soil is not expected to be an important fate process(2). Dodecanoic acid is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 1.6X10-5 mm Hg(3).
Literature: (1) Serjeant EP, Dempsey B; IUPAC Chemical Data Series No 23 NY, NY: Pergamon Press (1979) (2) Doucette WJ; pp. 141-188 in Handbook of Property Estimation Methods for Chemicals. Boethling RS, Mackay D, eds. Boca Raton, FL: Lewis Publ (2000) (3) Yaws CL; Handbook of Vapor Pressure. Vol 3: C8-C28 Compounds. Houston, TX: Gulf Pub Co (1994)
Soil Adsorption
The Koc of undissociated dodecanoic acid is estimated as 7,600 for the free acid(SRC), using a log Kow of 4.60(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that undissociated dodecanoic acid is expected to be immobile in soil. The pKa of dodecanoic acid is 5.3(4) , indicating that this compound will exist almost entirely in anion form in the environment and anions generally do not adsorb more strongly to soils containing organic carbon and clay than their neutral counterparts(5).
Literature: (1) Sangster J; LOGKOW Databank. Sangster Res Lab Montreal Quebec, Canada (1994) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 4-9 (1990) (3) Swann RL et al; Res Rev 85: 17-28 (1983) (4) Serjeant EP, Dempsey B; IUPAC Chemical Data Series No 23 NY, NY: Pergamon Press (1979) (5) Doucette WJ; pp. 141-188 in Handbook of Property Estimation Methods for Chemicals. Boethling RS, Mackay D, eds. Boca Raton, FL: Lewis Publ (2000)
Vapor Pressure
PressureReference
1.6X10-5 mm Hg at 25 deg C (extrapolated)Yaws CL; Handbook of Vapor Pressure. Vol 3: C8-C28 Compounds. Houston, TX: Gulf Pub Co (1994)
MS-Links
MS-MS Spectrum 20821
MS-MS Spectrum 4272 - LC-ESI-QQ (API3000, Applied Biosystems) 50V Negative
MS-MS Spectrum 4269 - LC-ESI-QQ (API3000, Applied Biosystems) 20V Negative
MS-MS Spectrum 4268 - LC-ESI-QQ (API3000, Applied Biosystems) 10V Negative
MS-MS Spectrum 20732
MS-MS Spectrum 20819
MS-MS Spectrum 870 - Quattro_QQQ 10V Positive delivery=Flow_Injection analyzer=Triple_Quad
MS-MS Spectrum 4270 - LC-ESI-QQ (API3000, Applied Biosystems) 30V Negative
MS-MS Spectrum 22370
MS-MS Spectrum 22372
MS-MS Spectrum 20734
MS-MS Spectrum 4266 - EI-B (HITACHI M-80B) Positive
MS-MS Spectrum 20733
MS-MS Spectrum 22283
MS-MS Spectrum 4271 - LC-ESI-QQ (API3000, Applied Biosystems) 40V Negative
MS-MS Spectrum 871 - Quattro_QQQ 25V Positive delivery=Flow_Injection analyzer=Triple_Quad
MS-MS Spectrum 22371
MS-MS Spectrum 22285
MS-MS Spectrum 872 - Quattro_QQQ 40V Positive delivery=Flow_Injection analyzer=Triple_Quad
MS-MS Spectrum 20820
MS-MS Spectrum 4267 - EI-B (JEOL JMS-AX-505-H) Positive
MS-MS Spectrum 22284
MS-MS Spectrum 201650
1D-NMR-Links

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaBacillus Cereus B-569n/aBlom et al., 2011
BacteriaBacteroides Gracilis CCUG 13143 (ATCC 33236)n/aBrondz and Olsen, 1991
BacteriaBacteroides Ureolyticus CCUG 7319 (ATCC 33387)n/aBrondz and Olsen, 1991
BacteriaBurkholderia Andropogonis LMG 2129n/aBlom et al., 2011
BacteriaBurkholderia Anthina LMG 20980n/aBlom et al., 2011
BacteriaBurkholderia Caryophylli LMG 2155n/aBlom et al., 2011
BacteriaBurkholderia Gladioli LMG 2216n/aBlom et al., 2011
BacteriaBurkholderia Lata LMG 22485n/aBlom et al., 2011
BacteriaBurkholderia Lata LMG 6993n/aBlom et al., 2011
BacteriaBurkholderia Tropica LMG 22274n/aBlom et al., 2011
BacteriaCampylobacter Fetus Subsp. Venerealis CCUG 538 (ATCC 19438)n/aBrondz and Olsen, 1991
BacteriaCellulomonas Udan/aBlom et al., 2011
BacteriaCupriavidus Necator LMG 1199n/aBlom et al., 2011
BacteriaEscherichia Coli OP50n/aBlom et al., 2011
BacteriaLactobacillus Casei NCIB 8010n/aTracey and Britz, 1989
BacteriaLactobacillus Plantarum NCIB 6376n/aTracey and Britz, 1989
BacteriaLactococcus Lactis DSM 20202n/aTracey and Britz, 1989
BacteriaLeuconostoc Cremoris DSM 20346n/aTracey and Britz, 1989
BacteriaLeuconostoc Dextranicum DSM 20484n/aTracey and Britz, 1989
BacteriaLeuconostoc Mesenteroides DSM 20343n/aTracey and Britz, 1989
BacteriaLeuconostoc Oenos B66n/aTracey and Britz, 1989
BacteriaLeuconostoc Oenos 19n/aTracey and Britz, 1989
BacteriaLeuconostoc Oenos 30n/aTracey and Britz, 1989
BacteriaLeuconostoc Oenos 36n/aTracey and Britz, 1989
BacteriaLeuconostoc Oenos 37Dn/aTracey and Britz, 1989
BacteriaLeuconostoc Oenos 7Bn/aTracey and Britz, 1989
BacteriaLeuconostoc Oenos DSM 20252n/aTracey and Britz, 1989
BacteriaLeuconostoc Oenos DSM 20255n/aTracey and Britz, 1989
BacteriaLeuconostoc Oenos DSM 20257n/aTracey and Britz, 1989
BacteriaLeuconostoc Oenos Lc5xn/aTracey and Britz, 1989
BacteriaLeuconostoc Paramesenteroides DSM 20288n/aTracey and Britz, 1989
BacteriaLimnobacter Thiooxidans LMG 19593n/aBlom et al., 2011
BacteriaPandoraea Norimbergensis LMG 18379n/aBlom et al., 2011
BacteriaPediococcus Damnosus DSM 20331n/aTracey and Britz, 1989
BacteriaPseudomonas Putida ISOfn/aBlom et al., 2011
BacteriaSerratia Entomophilia A1MO2n/aBlom et al., 2011
BacteriaSerratia Plymuthica HRO-C48n/aBlom et al., 2011
BacteriaSerratia Plymuthica IC14n/aBlom et al., 2011
BacteriaWolinella Curva CCUG 13146 (ATCC 35224)n/aBrondz and Olsen, 1991
BacteriaWolinella Recta FDC 371 (ATCC 33238)n/aBrondz and Olsen, 1991
BacteriaWolinella Succinogenes CCUG 12550 (ATCC 29543)n/aBrondz and Olsen, 1991
BacteriaBacillus Strain D13antibacterialsoil Malaysia and Tibet, China General Microbial culture center CGMCCXie et al. 2016
FungiGanoderma Lucidumnasaprophytic on deciduous treesZiegenbein et al., 2006
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaBacillus Cereus B-569AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBacteroides Gracilis CCUG 13143 (ATCC 33236)n/an/a
BacteriaBacteroides Ureolyticus CCUG 7319 (ATCC 33387)n/an/a
BacteriaBurkholderia Andropogonis LMG 2129MR-VP and MS Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Anthina LMG 20980AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Caryophylli LMG 2155MR-VP Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Gladioli LMG 2216MSHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Lata LMG 22485MSHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Lata LMG 6993MR-VP Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Tropica LMG 22274MSHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaCampylobacter Fetus Subsp. Venerealis CCUG 538 (ATCC 19438)n/an/a
BacteriaCellulomonas UdaMR-VP and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaCupriavidus Necator LMG 1199MR-VP and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaEscherichia Coli OP50MR-VP, MS and Angle Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaLactobacillus Casei NCIB 8010n/an/a
BacteriaLactobacillus Plantarum NCIB 6376n/an/a
BacteriaLactococcus Lactis DSM 20202n/an/a
BacteriaLeuconostoc Cremoris DSM 20346n/an/a
BacteriaLeuconostoc Dextranicum DSM 20484n/an/a
BacteriaLeuconostoc Mesenteroides DSM 20343n/an/a
BacteriaLeuconostoc Oenos B66n/an/a
BacteriaLeuconostoc Oenos 19n/an/a
BacteriaLeuconostoc Oenos 30n/an/a
BacteriaLeuconostoc Oenos 36n/an/a
BacteriaLeuconostoc Oenos 37Dn/an/a
BacteriaLeuconostoc Oenos 7Bn/an/a
BacteriaLeuconostoc Oenos DSM 20252n/an/a
BacteriaLeuconostoc Oenos DSM 20255n/an/a
BacteriaLeuconostoc Oenos DSM 20257n/an/a
BacteriaLeuconostoc Oenos Lc5xn/an/a
BacteriaLeuconostoc Paramesenteroides DSM 20288n/an/a
BacteriaLimnobacter Thiooxidans LMG 19593MR-VP and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaPandoraea Norimbergensis LMG 18379AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaPediococcus Damnosus DSM 20331n/an/a
BacteriaPseudomonas Putida ISOfMR-VP Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaSerratia Entomophilia A1MO2AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaSerratia Plymuthica HRO-C48AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaSerratia Plymuthica IC14AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaWolinella Curva CCUG 13146 (ATCC 35224)n/an/a
BacteriaWolinella Recta FDC 371 (ATCC 33238)n/an/a
BacteriaWolinella Succinogenes CCUG 12550 (ATCC 29543)n/an/a
BacteriaBacillus Strain D13LBSPME-GC-MSyes
FungiGanoderma LucidumnaGC/MSNo


Decan-1-ol

Mass-Spectra

Compound Details

Synonymous names
Nonylcacarbinol
DECYLALCOHOL
Nonylcarbinol
MWKFXSUHUHTGQN-UHFFFAOYSA-N
Panorama
Royaltac
Caprinic alcohol
Contak
Decanol
Decylic alcohol
Delete
n-Nonylcarbinol
Nonyl acarbinol
Antak
Capric alcohol
Decyl alcohol
n-decylalcohol
2-octylethylether
Primary decyl alcohol
1-Hydroxydecane
n-Decanol
Sprout-Off
AC1L1QFJ
AC1Q7CPP
DE1
n-Decatyl alcohol
n-Decyl alcohol
1-DECANOL
Alcohol C10
C10 alcohol
Kalcohl 10H
Royaltac-85
Conol 10N
Lorol C10
Sipol L10
1-Decanol, analytical standard
AC1Q2W84
Alcohols, C10-terpenoidal
Alfol 10
Decyl n- alcohol
Epal 10
KSC175K8J
Lorol 22
M251
Royaltac M-2
ACMC-1C43K
C10H22O
CHEMBL25363
Decan-1-ol
Decanol (mixed isomers)
Decanol (VAN)
SCHEMBL21645
Agent 504
Alcohol C-10
Alfol 810
BDBM36280
C 10 alcohol
CCRIS 654
CTK0H5584
D0031
DECYL ALCOHOL (mixed isomers)
Epal 810
HMDB11624
BIDD:ER0304
Dytol S-91
Emtrol 1601
Emtrol 1630B
Kalcohl 1098
RP22205
89V4LX791F
C01633
C8-10 Alcohols
DECYL, N- ALCOHOL
Fatty alcohol(C10)
HSDB 1072
n-Decan-1-ol
T 148
T-148
Tobacco sucker control agent 148
Tobacco sucker control agent 504
WLN: Q10
1-Decanol (natural)
AK163971
Decanol-(1)
DTXSID7021946
FEMA Number 2365
LP086706
LS-2655
NSC406313
OR001680
SBB059908
STL280520
UNII-6X61I5U3A4 component MWKFXSUHUHTGQN-UHFFFAOYSA-N
A802549
Capric alcohol, United States Pharmacopeia (USP) Reference Standard
CHEBI:28903
DSSTox_CID_1946
UNII-89V4LX791F
ZINC1529247
1-Decanol, >=99%
AN-43122
ANW-16446
Caswell No. 275A
DSSTox_GSID_21946
LS-59425
SC-19069
TRA0002445
1-Decanol, 99%
Alcohols, C8-10
Alcohols, C9-11
C-58513
DSSTox_RID_76419
LMFA05000062
MFCD00004747
Nacol 10-99
ACM36729585
AI3-02173
NSC 406313
NSC-406313
RTR-002412
ST24046421
ST51046175
TR-002412
AKOS000120014
EPA Pesticide Chemical Code 079038
J-002747
BRN 1735221
FEMA No. 2365
FT-0607691
I14-17880
Tox21_202186
Tox21_300078
112-30-1
F0001-0257
T-148 (VAN)
MCULE-7579570663
NCGC00163764-01
NCGC00163764-02
NCGC00163764-03
NCGC00163764-04
NCGC00254141-01
NCGC00259735-01
CAS-112-30-1
EINECS 203-956-9
EINECS 253-173-1
EINECS 287-621-2
36729-58-5
66455-17-2
70084-71-8
118374-94-0
1-decanol (ACD/Name 4.0)
1-Decanol, >=98%, FCC, FG
MolPort-001-792-070
1-Decanol, Selectophore(TM), >=98.0%
26303-54-8 (aluminum salt)
37909-25-4 (magnesium salt)
4-01-00-01815 (Beilstein Handbook Reference)
476960DD-B0CE-4D91-B27C-A9490A89B065
decan-1-ol, capric alcohol, decan-1-ol, decyl alcohol, alcohol C10, 1-decanol
InChI=1/C10H22O/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-10H2,1H
Microorganism:

Yes

IUPAC namedecan-1-ol
SMILESCCCCCCCCCCO
InchiInChI=1S/C10H22O/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-10H2,1H3
FormulaC10H22O
PubChem ID8174
Molweight158.285
LogP3.47
Atoms33
Bonds32
H-bond Acceptor1
H-bond Donor1
Chemical ClassificationAlcohols Alcohol

mVOC Specific Details

Volatilization
The Henry's Law constant for 1-decanol is reported as 4.78X10-5 atm-cu m/mole(1). This Henry's Law constant indicates that 1-decanol is expected to volatilize 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 27 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 12 days(SRC). 1-Decanol's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). 1-Decanol is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 8.51X10-3 mm Hg(3).
Literature: (1) Yaws CL et al; Waste Manag 17: 541-7 (1997) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Daubert TE, Danner RP; Physical & Thermodynamic Properties of Pure Chemicals: Data Compilation. New York, NY: Hemisphere Pub Corp (1989)
Soil Adsorption
The log Koc of 1-decanol has been reported as 2.59(1). According to a classification scheme(2), this log Koc value suggests that 1-decanol is expected to have moderate mobility in soil.
Literature: (1) Schuurmann G et al; Environ Sci Technol 40:7005-11 (2006) (2) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
0.00851 mm Hg at 25 deg CDaubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989., p. 4630
MS-Links
1D-NMR-Links

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaCitrobacter Freundii ATCC 33128American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology LaboratoryElgaali et al. 2002
BacteriaClostridium Difficileoutbreak 2006 UKRees et al 2016
BacteriaEnterobacter Aerogenes ATCC 13048American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology LaboratoryElgaali et al. 2002
BacteriaEnterobacter Aerogenes KY2American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology LaboratoryElgaali et al. 2002
BacteriaEnterobacter Cloacae ATCC 13047American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology LaboratoryElgaali et al. 2002
BacteriaEscherichia Colin/aTait et al., 2014
BacteriaEscherichia Coli ATCC 25922American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology LaboratoryElgaali et al. 2002
BacteriaKlebsiella Pneumoniaen/aTait et al., 2014
BacteriaLeuconostoc Mesenteroides ATCC 8086American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology LaboratoryElgaali et al. 2002
BacteriaSalmonella Paratyphi KYAmerican Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology LaboratoryElgaali et al. 2002
BacteriaSalmonella Typhimurium ATCC 14082American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology LaboratoryElgaali et al. 2002
BacteriaSerratia Marcescens Db11n/aWeise et al., 2014
BacteriaSerratia Odorifera DSM 4582n/aWeise et al., 2014
BacteriaSerratia Plymuthica AS9n/aWeise et al., 2014
BacteriaSerratia Proteamaculans 568n/aWeise et al., 2014
BacteriaShigella Sonnei ATCCV 25931American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology LaboratoryElgaali et al. 2002
BacteriaStaphylococcus Aureusn/aTait et al., 2014
FungiAspergillus VersicolorSchleibinger et al.,2005
Fungi Lasiodioplodia PseudotheobromaeOliveira et al. 2018
BacteriaEnterobacter Cloacaen/aArnold and Senter, 1998
BacteriaL Isteria Monocytogenesn/aArnold and Senter, 1998
BacteriaPseudomonas AurantiacaInhibition of mycelium growth and spore germinationFernando et al., 2005
BacteriaPseudomonas ChlororaphisInhibition of mycelium growth and spore germinationFernando et al., 2005
BacteriaPseudomonas CorrugateInhibition of mycelium growth and spore germinationFernando et al., 2005
BacteriaPseudomonas FluorescensInhibition of mycelium growth and spore germinationFernando et al., 2005
BacteriaSalmonella Enteritidisn/aArnold and Senter, 1998
BacteriaBacillus Strain D13antibacterialsoil Malaysia and Tibet, China General Microbial culture center CGMCCXie et al. 2016
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaCitrobacter Freundii ATCC 33128TS brothGC-MS SPMEyes
BacteriaClostridium Difficilebrain heart infusionGCxGC-TOF-MSyes
BacteriaEnterobacter Aerogenes ATCC 13048TS brothGC-MS SPMEyes
BacteriaEnterobacter Aerogenes KY2TS brothGC-MS SPMEyes
BacteriaEnterobacter Cloacae ATCC 13047TS brothGC-MS SPMEyes
BacteriaEscherichia ColiBHI Broth/ TS Broth/Glucose EF base brothGC-MS /Polar and non-polar GC Column
BacteriaEscherichia Coli ATCC 25922TS brothGC-MS SPMEyes
BacteriaKlebsiella PneumoniaeBHI Broth/ TS Broth/Glucose EF base brothGC-MS /Polar and non-polar GC Column
BacteriaLeuconostoc Mesenteroides ATCC 8086TS brothGC-MS SPMEyes
BacteriaSalmonella Paratyphi KYTS brothGC-MS SPMEyes
BacteriaSalmonella Typhimurium ATCC 14082TS brothGC-MS SPMEyes
BacteriaSerratia Marcescens Db11NBIIHeadspace trapping/ GC-MS
BacteriaSerratia Odorifera DSM 4582NBIIHeadspace trapping/ GC-MS
BacteriaSerratia Plymuthica AS9NBIIHeadspace trapping/ GC-MS
BacteriaSerratia Proteamaculans 568NBIIHeadspace trapping/ GC-MS
BacteriaShigella Sonnei ATCCV 25931TS brothGC-MS SPMEyes
BacteriaStaphylococcus AureusBHI Broth/ TS Broth/Glucose EF base brothGC-MS /Polar and non-polar GC Column
FungiAspergillus Versicoloringrain wallpaperGC/MS-SIMYes
Fungi Lasiodioplodia Pseudotheobromaeno
BacteriaEnterobacter CloacaeHS-SPME/GC-MS
BacteriaL Isteria MonocytogenesHS-SPME/GC-MS
BacteriaPseudomonas Aurantiacan/an/a
BacteriaPseudomonas Chlororaphisn/an/a
BacteriaPseudomonas Corrugaten/an/a
BacteriaPseudomonas Fluorescensn/an/a
BacteriaSalmonella EnteritidisHS-SPME/GC-MS
BacteriaBacillus Strain D13LBSPME-GC-MSyes


Tetradecanoic Acid

Mass-Spectra

Compound Details

Synonymous names
Myristinsaeure
Tetradecanoate
tridecanecarboxylic acid
acide tetradecanoique
myristoate
n-Tetradecanoicacid
1-Tridecanecarboxylate
Crodacid
Myristate
Tetradecanoic acid
TUNFSRHWOTWDNC-UHFFFAOYSA-N
n-Tetradecanoate
tetradecoic acid
1-tetradecanecarboxylic acid
MYRISTIC ACID
myristoic acid
1-Tridecanecarboxylic acid
n-Tetradecanoic acid
Myristic Acid Flake
Myristic acid pure
n-Tetradecoic acid
3usx
Myristic acid, analytical standard
ACMC-1AKMJ
n-Myristic acid
3v2n
3w9k
Myristic acid, natural
AC1L1WF8
AC1Q2W1A
Myristic acid, pure
Tetradecanoic (Myristic) acid
SCHEMBL6374
AC1Q2W11
GTPL2806
KSC271K5J
s161
C14 fatty acid
Myristic acid (natural)
Myristic acid, puriss.
n-tetradecan-1-oate
NSC5028
0I3V7S25AW
CTK1H1554
Emery 655
HMDB00806
Hystrene 9014
Hystrene 9514
Kortacid 1499
M0476
Myristic Acid 655
Myristic acid, pharmaceutical secondary standard; traceable to USP
Philacid 1400
CHEMBL111077
DB08231
Edenor C 14
LS-210
Myristic acid [NF]
n-Tetradecan-1-oic acid
NE10225
Neo-fat 14
Prifac 2942
Prifrac 2942
Tetradecanoic acid (9CI)
bmse000737
C06424
C14:0
CCRIS 4724
HMS3039E15
HMS3648O20
HSDB 5686
Hydrofol acid 1495
Myristic acid, 95%
UNII-0I3V7S25AW
Univol U 316S
WLN: QV13
AK114664
BT000309
DTXSID6021666
LP003932
Myristic acid (8CI)
NSC 5028
NSC-5028
SBB060024
ST023797
CHEBI:28875
DSSTox_CID_1666
Myristic acid, United States Pharmacopeia (USP) Reference Standard
ZINC1530417
AB1002562
AN-21363
ANW-32091
DSSTox_GSID_21666
BDBM50147581
DSSTox_RID_76274
LMFA01010014
MFCD00002744
AI3-15381
KB-260944
RTR-019260
ST24025989
TR-019260
AKOS009156714
Epitope ID:176772
I04-0252
Myristic acid, Sigma Grade, >=99%
W-109088
BRN 0508624
FEMA No. 2764
FT-0602832
MLS002152942
SMR001224536
EN300-78099
Tox21_201852
Tox21_302781
544-63-8
C14:0 (Lipid numbers)
CH3-[CH2]12-COOH
F8889-5016
MCULE-9671122893
Myristic acid, >=95%, FCC, FG
NCGC00091068-01
NCGC00091068-02
NCGC00091068-03
NCGC00256547-01
NCGC00259401-01
CAS-544-63-8
EINECS 208-875-2
EINECS 250-924-5
45184-05-2
Myristic acid, Vetec(TM) reagent grade, 98%
Myristic acid, >=98.0% (GC)
MolPort-001-779-744
4-02-00-01126 (Beilstein Handbook Reference)
EDAE4876-C383-4AD4-A419-10C0550931DB
Microorganism:

Yes

IUPAC nametetradecanoic acid
SMILESCCCCCCCCCCCCCC(=O)O
InchiInChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16)
FormulaC14H28O2
PubChem ID11005
Molweight228.376
LogP5.37
Atoms44
Bonds43
H-bond Acceptor2
H-bond Donor1
Chemical ClassificationAcids carboxylic acids

mVOC Specific Details

Volatilization
A pKa of 4.90(1) indicates myristic acid will exist almost entirely in the anion form at pH values of 5 to 9 and therefore volatilization from water surfaces and moist soil is not expected to be an important fate process(2). Myristic acid is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 1.4X10-6 mm Hg(3).
Literature: (1) Barratt MD; Toxicol In Vitro 10:85-94 (1996) (2) Doucette WJ; pp. 141-188 in Handbook of Property Estimation Methods for Chemicals. Boethling RS, Mackay D, eds. Boca Raton, FL: Lewis Publ (2000) (3) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals: Data Domination. Design Inst Phys Prop Data, Amer Inst Chem Eng. NY, NY: Hemisphere Pub. Corp 4 Vol (1989)
Soil Adsorption
The Koc of myristic acid is estimated as 50,000 fro the free acid(SRC), using a log Kow of 6.11(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that undissociated myristic acid is expected to be immobile in soil. The pKa of myristic acid is 4.90(4), indicating that this compound will exist almost entirely in anion form in the environment and anions generally do not adsorb more strongly to soils containing organic carbon and clay than their neutral counterparts(5).
Literature: (1) Sangster J; LOGKOW Databank, Sangster Res Lab, Montreal Quebec, Canada (1994) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 4-9 (1990) (3) Swann RL et al; Res Rev 85: 17-28 (1983) (4) Barratt MD; Toxicol In Vitro 10:85-94 (1996) (5) Doucette WJ; pp. 141-188 in Handbook of Property Estimation Methods for Chemicals. Boethling RS, Mackay D, eds. Boca Raton, FL: Lewis Publ (2000)
Vapor Pressure
PressureReference
1.40X10-6 mm Hg at 25 deg CDaubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.
MS-Links
MS-MS Spectrum 22162
MS-MS Spectrum 201392
MS-MS Spectrum 22161
MS-MS Spectrum 4684 - LC-ESI-QQ (API3000, Applied Biosystems) 30V Negative
MS-MS Spectrum 21182
MS-MS Spectrum 22735
MS-MS Spectrum 4683 - LC-ESI-QQ (API3000, Applied Biosystems) 20V Negative
MS-MS Spectrum 20611
MS-MS Spectrum 4682 - LC-ESI-QQ (API3000, Applied Biosystems) 10V Negative
MS-MS Spectrum 201390
MS-MS Spectrum 22734
MS-MS Spectrum 1150 - Quattro_QQQ 10V Negative delivery=Flow_Injection analyzer=Triple_Quad
MS-MS Spectrum 22733
MS-MS Spectrum 201389
MS-MS Spectrum 20609
MS-MS Spectrum 21183
MS-MS Spectrum 4686 - LC-ESI-QQ (API3000, Applied Biosystems) 50V Negative
MS-MS Spectrum 22160
MS-MS Spectrum 201388
MS-MS Spectrum 201391
MS-MS Spectrum 4685 - LC-ESI-QQ (API3000, Applied Biosystems) 40V Negative
MS-MS Spectrum 21184
MS-MS Spectrum 201387
MS-MS Spectrum 1151 - Quattro_QQQ 25V Negative delivery=Flow_Injection analyzer=Triple_Quad
MS-MS Spectrum 20610
1D-NMR-Links

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaBacillus Strain D13antibacterialsoil Malaysia and Tibet, China General Microbial culture center CGMCCXie et al. 2016
BacteriaPseudomonas Simiae AUnarhizosphere of a soybean field in the province of Rajasthan, IndiaVaishnav et al., 2016
FungiPleurotus CystidiosusnanaUsami et al., 2014
FungiPleurotus Eryngii Var. TuoliensisnanaUsami et al., 2014
FungiGanoderma Lucidumnasaprophytic on deciduous treesZiegenbein et al., 2006
FungiSpongiporus Leucomallellusnasaprophytic mostly on wet, old pinesZiegenbein et al., 2006
BacteriaBacteroides Fragilis ATCC 25285n/aBrondz and Olsen, 1991
BacteriaBacteroides Gracilis CCUG 13143 (ATCC 33236)n/aBrondz and Olsen, 1991
BacteriaBacteroides Ureolyticus CCUG 7319 (ATCC 33387)n/aBrondz and Olsen, 1991
BacteriaBurkholderia Andropogonis LMG 2129n/aBlom et al., 2011
BacteriaBurkholderia Graminis LMG 18924n/aBlom et al., 2011
BacteriaBurkholderia Lata LMG 22485n/aBlom et al., 2011
BacteriaBurkholderia Pyrrocinia LMG 21822n/aBlom et al., 2011
BacteriaBurkholderia Tropica LMG 22274n/aBlom et al., 2011
BacteriaCampylobacter Fetus Subsp. Venerealis CCUG 538 (ATCC 19438)n/aBrondz and Olsen, 1991
BacteriaLactobacillus Casei NCIB 8010n/aTracey and Britz, 1989
BacteriaLactobacillus Plantarum NCIB 6376n/aTracey and Britz, 1989
BacteriaLactococcus Lactis DSM 20202n/aTracey and Britz, 1989
BacteriaLeuconostoc Cremoris DSM 20346n/aTracey and Britz, 1989
BacteriaLeuconostoc Dextranicum DSM 20484n/aTracey and Britz, 1989
BacteriaLeuconostoc Mesenteroides DSM 20343n/aTracey and Britz, 1989
BacteriaLeuconostoc Oenos B66n/aTracey and Britz, 1989
BacteriaLeuconostoc Oenos 19n/aTracey and Britz, 1989
BacteriaLeuconostoc Oenos 30n/aTracey and Britz, 1989
BacteriaLeuconostoc Oenos 36n/aTracey and Britz, 1989
BacteriaLeuconostoc Oenos 37Dn/aTracey and Britz, 1989
BacteriaLeuconostoc Oenos 7Bn/aTracey and Britz, 1989
BacteriaLeuconostoc Oenos DSM 20252n/aTracey and Britz, 1989
BacteriaLeuconostoc Oenos DSM 20255n/aTracey and Britz, 1989
BacteriaLeuconostoc Oenos DSM 20257n/aTracey and Britz, 1989
BacteriaLeuconostoc Oenos Lc5xn/aTracey and Britz, 1989
BacteriaLeuconostoc Paramesenteroides DSM 20288n/aTracey and Britz, 1989
BacteriaMarine Streptomycete (isolate B6007)n/aStritzke et al., 2004
BacteriaPediococcus Damnosus DSM 20331n/aTracey and Britz, 1989
BacteriaPorphyromonas Endodontalis HG 181 (H 11a-e)n/aBrondz and Olsen, 1991
BacteriaPorphyromonas Endodontalis HG 182 (BN 11a-f)n/aBrondz and Olsen, 1991
BacteriaPorphyromonas Endodontalis HG 370 (ATCC 35406)n/aBrondz and Olsen, 1991
BacteriaPorphyromonas Endodontalis HG 412n/aBrondz and Olsen, 1991
BacteriaPrevotella Buccae ATCC 33574n/aBrondz and Olsen, 1991
BacteriaPrevotella Buccae ES12-Bn/aBrondz and Olsen, 1991
BacteriaPrevotella Buccae ES17-1n/aBrondz and Olsen, 1991
BacteriaPrevotella Buccae ES9-1n/aBrondz and Olsen, 1991
BacteriaPrevotella Disiens DSM 20516n/aBrondz and Olsen, 1991
BacteriaPrevotella Heparinolyticus ATCC 35895n/aBrondz and Olsen, 1991
BacteriaPrevotella Oralis ES14B-3An/aBrondz and Olsen, 1991
BacteriaPrevotella Oralis ES15-2n/aBrondz and Olsen, 1991
BacteriaPrevotella Oralis ES4-Bn/aBrondz and Olsen, 1991
BacteriaPrevotella Oris ATCC 33573n/aBrondz and Olsen, 1991
BacteriaPrevotella Oris ES14B-3An/aBrondz and Olsen, 1991
BacteriaPrevotella Oris ES9-3n/aBrondz and Olsen, 1991
BacteriaPrevotella Oris RPGn/aBrondz and Olsen, 1991
BacteriaPrevotella Veroralis ATCC 33779n/aBrondz and Olsen, 1991
BacteriaPseudomonas Chlororaphisn/aBlom et al., 2011
BacteriaPseudomonas Fluorescens WCS 417rn/aBlom et al., 2011
BacteriaPseudomonas Putida ISOfn/aBlom et al., 2011
BacteriaWolinella Curva CCUG 13146 (ATCC 35224)n/aBrondz and Olsen, 1991
BacteriaWolinella Recta FDC 371 (ATCC 33238)n/aBrondz and Olsen, 1991
BacteriaWolinella Succinogenes CCUG 12550 (ATCC 29543)n/aBrondz and Olsen, 1991
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaBacillus Strain D13LBSPME-GC-MSyes
BacteriaPseudomonas Simiae AUNutrient broth; King's B agarGC/MSNo
FungiPleurotus CystidiosusnaGC/MS, GC-O, AEDANo
FungiPleurotus Eryngii Var. TuoliensisnaGC/MS, GC-O, AEDANo
FungiGanoderma LucidumnaGC/MSNo
FungiSpongiporus LeucomallellusnaGC/MSNo
BacteriaBacteroides Fragilis ATCC 25285n/an/a
BacteriaBacteroides Gracilis CCUG 13143 (ATCC 33236)n/an/a
BacteriaBacteroides Ureolyticus CCUG 7319 (ATCC 33387)n/an/a
BacteriaBurkholderia Andropogonis LMG 2129MS Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Graminis LMG 18924MS Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Lata LMG 22485MS Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Pyrrocinia LMG 21822MS Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Tropica LMG 22274MS Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaCampylobacter Fetus Subsp. Venerealis CCUG 538 (ATCC 19438)n/an/a
BacteriaLactobacillus Casei NCIB 8010n/an/a
BacteriaLactobacillus Plantarum NCIB 6376n/an/a
BacteriaLactococcus Lactis DSM 20202n/an/a
BacteriaLeuconostoc Cremoris DSM 20346n/an/a
BacteriaLeuconostoc Dextranicum DSM 20484n/an/a
BacteriaLeuconostoc Mesenteroides DSM 20343n/an/a
BacteriaLeuconostoc Oenos B66n/an/a
BacteriaLeuconostoc Oenos 19n/an/a
BacteriaLeuconostoc Oenos 30n/an/a
BacteriaLeuconostoc Oenos 36n/an/a
BacteriaLeuconostoc Oenos 37Dn/an/a
BacteriaLeuconostoc Oenos 7Bn/an/a
BacteriaLeuconostoc Oenos DSM 20252n/an/a
BacteriaLeuconostoc Oenos DSM 20255n/an/a
BacteriaLeuconostoc Oenos DSM 20257n/an/a
BacteriaLeuconostoc Oenos Lc5xn/an/a
BacteriaLeuconostoc Paramesenteroides DSM 20288n/an/a
BacteriaMarine Streptomycete (isolate B6007)n/an/a
BacteriaPediococcus Damnosus DSM 20331n/an/a
BacteriaPorphyromonas Endodontalis HG 181 (H 11a-e)n/an/a
BacteriaPorphyromonas Endodontalis HG 182 (BN 11a-f)n/an/a
BacteriaPorphyromonas Endodontalis HG 370 (ATCC 35406)n/an/a
BacteriaPorphyromonas Endodontalis HG 412n/an/a
BacteriaPrevotella Buccae ATCC 33574n/an/a
BacteriaPrevotella Buccae ES12-Bn/an/a
BacteriaPrevotella Buccae ES17-1n/an/a
BacteriaPrevotella Buccae ES9-1n/an/a
BacteriaPrevotella Disiens DSM 20516n/an/a
BacteriaPrevotella Heparinolyticus ATCC 35895n/an/a
BacteriaPrevotella Oralis ES14B-3An/an/a
BacteriaPrevotella Oralis ES15-2n/an/a
BacteriaPrevotella Oralis ES4-Bn/an/a
BacteriaPrevotella Oris ATCC 33573n/an/a
BacteriaPrevotella Oris ES14B-3An/an/a
BacteriaPrevotella Oris ES9-3n/an/a
BacteriaPrevotella Oris RPGn/an/a
BacteriaPrevotella Veroralis ATCC 33779n/an/a
BacteriaPseudomonas ChlororaphisMS Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaPseudomonas Fluorescens WCS 417rMS Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaPseudomonas Putida ISOfMS Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaWolinella Curva CCUG 13146 (ATCC 35224)n/an/a
BacteriaWolinella Recta FDC 371 (ATCC 33238)n/an/a
BacteriaWolinella Succinogenes CCUG 12550 (ATCC 29543)n/an/a


Pentadecan-2-one

Mass-Spectra

Compound Details

Synonymous names
Pentadecanone
CJPNOLIZCWDHJK-UHFFFAOYSA-N
Methyl tridecyl ketone
SSV
2-PENTADECANONE
AC1L1UYR
Pentadecan-2-one
1569AB
P1063
CTK1A3861
SCHEMBL336157
ACMC-209g3f
B2Q48J997N
DTXSID6062333
LP006644
CHEMBL3273567
CHEBI:89254
ZINC1850860
UNII-B2Q48J997N
AX8077970
ST2419773
ACM2345280
AK-86074
ANW-25129
AN-19908
LMFA12000056
MFCD00053712
AI3-11706
RT-000810
KB-174026
AKOS009157795
2-Pentadecanone, >=98.5%
J-015112
FEMA No. 3724
FT-0613261
2-Pentadecanone, >=98%, FG
I14-49263
2345-28-0
EINECS 219-064-8
(3e,5e,7e,9e,11e,13e)-Pentadeca-3,5,7,9,11,13-Hexaen-2-One
Microorganism:

Yes

IUPAC namepentadecan-2-one
SMILESCCCCCCCCCCCCCC(=O)C
InchiInChI=1S/C15H30O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(2)16/h3-14H2,1-2H3
FormulaC15H30O
PubChem ID61303
Molweight226.404
LogP5.7
Atoms46
Bonds45
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationKetones Ketone

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaBacillus Strain D13antibacterialsoil Malaysia and Tibet, China General Microbial culture center CGMCCXie et al. 2016
BacteriaBurkholderia Ambifaria LMG 19182Groenhagen et al., 2013
BacteriaCollimonas Fungivorans Ter331n/aGarbeva et al., 2013
BacteriaCorynebacterium Accolens V12028clinical isolateLemfack et al. 2016
BacteriaCorynebacterium Jeikeum V12131clinical isolateLemfack et al. 2016
BacteriaCorynebacterium Jeikeum V12209clinical isolateLemfack et al. 2016
BacteriaCorynebacterium Minutissimum ATCC 23348clinical isolate,trunk of adult femaleLemfack et al. 2016
BacteriaCorynebacterium Striatum RV2clinical isolateLemfack et al. 2016
BacteriaCorynebacterium Striatum V6894clinical isolateLemfack et al. 2016
BacteriaPseudomonas Brassicacearum USB2104narhizosphere of bean plants, southern ItalyGiorgio et al., 2015
BacteriaPseudomonas Syringae S22naphyllosphere of field-grown potato plantsHunziker et al., 2015
BacteriaSerratia Marcescens Db11n/aWeise et al., 2014
BacteriaSerratia Odorifera DSM 4582n/aWeise et al., 2014
BacteriaSerratia Plymuthica 4Rx13n/aWeise et al., 2014
BacteriaSerratia Plymuthica AS9n/aWeise et al., 2014
BacteriaSerratia Plymuthica PRI-2Cnamaize rhizosphere, NetherlandsGarbeva et al., 2014
BacteriaSerratia Proteamaculans 568n/aWeise et al., 2014
BacteriaStaphylococcus Epidermidis ATCC 12228Lemfack et al. 2016
BacteriaStaphylococcus Epidermidis ATCC 14990clinical isolate,noseLemfack et al. 2016
BacteriaStaphylococcus Epidermidis DSM 3269clinical isolate,catheterLemfack et al. 2016
BacteriaStaphylococcus Epidermidis RP62Aclinical isolate,catheterLemfack et al. 2016
BacteriaStaphylococcus Haemolyticus CCM 2729clinical isolate,human skinLemfack et al. 2016
BacteriaStaphylococcus Intermedius 9Sclinical isolateLemfack et al. 2016
BacteriaStaphylococcus Saccharolyticus B5709clinical isolateLemfack et al. 2016
BacteriaStaphylococcus Schleiferi DSMZ 4807clinical isolateLemfack et al. 2016
BacteriaStaphylococcus Schleiferi H34clinical isolateLemfack et al. 2016
BacteriaStaphylococcus Schleiferi V431clinical isolateLemfack et al. 2016
BacteriaStaphylococcus Sciuri ATCC 29061Southernflying squirrel skinLemfack et al. 2016
BacteriaStaphylococcus Sciuri V405clinical isolateLemfack et al. 2016
BacteriaStaphylococcus Sciuri Yclinical isolateLemfack et al. 2016
BacteriaStaphylococcus Warneri CCM 2730clinical isolate,human skinLemfack et al. 2016
Fungi Fusarium SolaniTakeuchi et al. 2014
FungiPleurotus CystidiosusnanaUsami et al., 2014
BacteriaCytophaga-Flavobacterium-Bacteroides (CFB)Mn/aSchulz and Dickschat, 2007
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10223n/aDickschat et al., 2005_3
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10044n/aDickschat et al., 2005_3
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10063n/aDickschat et al., 2005_3
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10141n/aDickschat et al., 2005_3
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10146n/aDickschat et al., 2005_3
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10267n/aDickschat et al., 2005_3
BacteriaXanthomonas Campestris Pv. Vesicatoria 85-10n/aWeise et al., 2012
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaBacillus Strain D13LBSPME-GC-MSyes
BacteriaBurkholderia Ambifaria LMG 19182Luria-Bertani medium, Malt ExtractYes
BacteriaCollimonas Fungivorans Ter331Headspace trapping/GC-MS
BacteriaCorynebacterium Accolens V12028brain heart infusion mediumPorapak / GC/MSno
BacteriaCorynebacterium Jeikeum V12131brain heart infusion mediumPorapak / GC/MSno
BacteriaCorynebacterium Jeikeum V12209brain heart infusion mediumPorapak / GC/MSno
BacteriaCorynebacterium Minutissimum ATCC 23348brain heart infusion mediumPorapak / GC/MSno
BacteriaCorynebacterium Striatum RV2brain heart infusion mediumPorapak / GC/MSno
BacteriaCorynebacterium Striatum V6894brain heart infusion mediumPorapak / GC/MSno
BacteriaPseudomonas Brassicacearum USB2104King's B AgarSPME-GC/MSNo
BacteriaPseudomonas Syringae S22LB mediumGC/MSYes
BacteriaSerratia Marcescens Db11NBIIHeadspace trapping/ GC-MS
BacteriaSerratia Odorifera DSM 4582NBIIHeadspace trapping/ GC-MS
BacteriaSerratia Plymuthica 4Rx13NBIIHeadspace trapping/ GC-MS
BacteriaSerratia Plymuthica AS9NBIIHeadspace trapping/ GC-MS
BacteriaSerratia Plymuthica PRI-2Csand containing artificial root exudatesGC/MSNo
BacteriaSerratia Proteamaculans 568NBIIHeadspace trapping/ GC-MS
BacteriaStaphylococcus Epidermidis ATCC 12228brain heart infusion mediumPorapak / GC/MSno
BacteriaStaphylococcus Epidermidis ATCC 14990brain heart infusion mediumPorapak / GC/MSno
BacteriaStaphylococcus Epidermidis DSM 3269brain heart infusion mediumPorapak / GC/MSno
BacteriaStaphylococcus Epidermidis RP62Abrain heart infusion mediumPorapak / GC/MSno
BacteriaStaphylococcus Haemolyticus CCM 2729brain heart infusion mediumPorapak / GC/MSno
BacteriaStaphylococcus Intermedius 9Sbrain heart infusion mediumPorapak / GC/MSno
BacteriaStaphylococcus Saccharolyticus B5709brain heart infusion mediumPorapak / GC/MSno
BacteriaStaphylococcus Schleiferi DSMZ 4807brain heart infusion mediumPorapak / GC/MSno
BacteriaStaphylococcus Schleiferi H34brain heart infusion mediumPorapak / GC/MSno
BacteriaStaphylococcus Schleiferi V431brain heart infusion mediumPorapak / GC/MSno
BacteriaStaphylococcus Sciuri ATCC 29061brain heart infusion mediumPorapak / GC/MSno
BacteriaStaphylococcus Sciuri V405brain heart infusion mediumPorapak / GC/MSno
BacteriaStaphylococcus Sciuri Ybrain heart infusion mediumPorapak / GC/MSno
BacteriaStaphylococcus Warneri CCM 2730brain heart infusion mediumPorapak / GC/MSno
Fungi Fusarium Solanino
FungiPleurotus CystidiosusnaGC/MS, GC-O, AEDANo
BacteriaCytophaga-Flavobacterium-Bacteroides (CFB)Mn/an/a
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10223n/an/a
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10044n/an/a
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10063n/an/a
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10141n/an/a
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10146n/an/a
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10267n/an/a
BacteriaXanthomonas Campestris Pv. Vesicatoria 85-10NBIIClosed airflow-system/GC-MS and PTR-MS


3-methylcyclopentane-1,2-diol

Mass-Spectra

Compound Details

Synonymous names
3-Methylcyclopentanediol
KANFKJUPLALTDB-UHFFFAOYSA-N
AC1L1QLX
ACMC-20an1b
CTK8C5939
3-METHYL-1,2-CYCLOPENTANEDIOL
SCHEMBL5831651
OR127373
3-methylcyclopentane-1,2-diol
OR022925
NSC403839
3-Methylcyclopentan-1,2-diol
KB-32665
FCH1119393
C-58077
MFCD00019285
RT-004434
NSC-403839
ST50409315
DB-047248
3-Methyl-1,2-cyclopentanediol #
AKOS028113768
3-Methyl-1,2-cyclopentanediol, mixture of diastereomers
FT-0638714
1,2-Cyclopentanediol, 3-methyl-
I14-100286
MCULE-3292232581
3-METHYL-1,2-CYCLOPENTANEDIOL (MIXTURE OF ISOMERS)
27583-37-5
Microorganism:

Yes

IUPAC name3-methylcyclopentane-1,2-diol
SMILESCC1CCC(C1O)O
InchiInChI=1S/C6H12O2/c1-4-2-3-5(7)6(4)8/h4-8H,2-3H2,1H3
FormulaC6H12O2
PubChem ID33945
Molweight116.16
LogP0.13
Atoms20
Bonds20
H-bond Acceptor2
H-bond Donor2
Chemical Classificationalcohols

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaBacillus Strain D13antibacterialsoil Malaysia and Tibet, China General Microbial culture center CGMCCXie et al. 2016
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaBacillus Strain D13LBSPME-GC-MSyes


3,5,5-trimethylhexan-1-ol

Mass-Spectra

Compound Details

Synonymous names
Trimethylhexyl alcohol
BODRLKRKPXBDBN-UHFFFAOYSA-N
Nonylol
Trimethylhexyl alcohol (Related)
i-Nonyl alcohol
AC1L2D4F
AC1Q1R2G
3,5-Trimethylhexanol
SCHEMBL21394
ACMC-1CT00
CTK4H2542
X6899
NSC97226
NSC83151
3,5,5-Trimethylhexanol
OR023140
CHEMBL3187919
Trimethyl-1-hexanol (Related)
AK129854
DTXSID7029661
3,5,5-Trimethylhexyl alcohol
DSSTox_CID_9661
AN-20219
ANW-27889
NSC-97226
NSC-83151
Caswell No. 892A
NSC 97226
NSC 83151
DSSTox_GSID_29661
LMFA05000625
3,5-Trimethyl-1-hexanol
3,5,5 trimethyl hexanol
3,5,5-trimethyl hexanol
MFCD00036138
DSSTox_RID_78799
AI3-22142
ST24041166
TC-116634
NCIOpen2_001207
KB-234071
W-109141
AKOS009156969
EPA Pesticide Chemical Code 492200
FT-0614411
FT-0614410
FEMA No. 3324
I14-18838
1-Hexanol,5,5-trimethyl-
3,5,5-Trimethyl n-hexanol
Tox21_303600
Tox21_202260
3,5,5-Trimethyl-1-hexanol
3,5,5-Trimethylhexan-1-ol
3452-97-9
NCGC00249200-01
NCGC00257325-01
NCGC00259809-01
EINECS 222-376-7
3,5,5-Trimethyl-hexan-1-ol
1-Hexanol,3,5,5-trimethyl-
CAS-3452-97-9
3,5,5-TRIMETHYL-1-HEXANOL, TECH
201404-81-1
140237-16-7
MolPort-001-793-322
1-Hexanol, 3,5,5-trimethyl-
3,5,5-Trimethyl-1-hexanol, >=85%
3,5,5-Trimethyl-1-hexanol, technical grade, 85%
InChI=1/C9H20O/c1-8(5-6-10)7-9(2,3)4/h8,10H,5-7H2,1-4H
Microorganism:

Yes

IUPAC name3,5,5-trimethylhexan-1-ol
SMILESCC(CCO)CC(C)(C)C
InchiInChI=1S/C9H20O/c1-8(5-6-10)7-9(2,3)4/h8,10H,5-7H2,1-4H3
FormulaC9H20O
PubChem ID18938
Molweight144.258
LogP2.57
Atoms30
Bonds29
H-bond Acceptor1
H-bond Donor1
Chemical Classificationalcohols

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaBacillus Strain D13antibacterialsoil Malaysia and Tibet, China General Microbial culture center CGMCCXie et al. 2016
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaBacillus Strain D13LBSPME-GC-MSyes


Compound Details

Synonymous names
OWBAMKRGIUPCCJ-UHFFFAOYSA-N
AC1L8NDD
NSC254919
PL044398
LS-67668
NSC-254919
13131-19-6
1,4-Dihydro-2-methyl-1,4-ethenoisoquinolin-3(2H)-one
N-Methyl-1,4-dihydro-1,4-etheno-isoquinolin-3(2H)-one
1,4-Ethenoisoquinolin-3(2H)-one, 1,4-dihydro-2-methyl-
N-Methyl-9-aza-tricyclo[6.2.2.0(2,7)]dodec-2,4,6,11-tetraene-10-one
9-METHYL-9-AZATRICYCLO[6.2.2.0(2),?]DODECA-2(7),3,5,11-TETRAEN-10-ONE
Microorganism:

Yes

IUPAC name
SMILESCN1C2C=CC(C1=O)C3=CC=CC=C23
InchiInChI=1S/C12H11NO/c1-13-11-7-6-10(12(13)14)8-4-2-3-5-9(8)11/h2-7,10-11H,1H3
FormulaC12H11NO
PubChem ID429398
Molweight185.226
LogP1.37
Atoms25
Bonds27
H-bond Acceptor1
H-bond Donor0
Chemical Classificationamides benzenoids isoquinolin nitrogen containing compounds

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaBacillus Strain D13antibacterialsoil Malaysia and Tibet, China General Microbial culture center CGMCCXie et al. 2016
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaBacillus Strain D13LBSPME-GC-MSno


4-octadecylmorpholine

Compound Details

Synonymous names
GSMSOLOCRKCJMR-UHFFFAOYSA-N
4-Octadecylmorpholine
4-Octadecylmorpholine #
AC1L39JX
AC1Q70DH
Morpholine,4-octadecyl-
CTK4D2043
Morpholine, 4-octadecyl-
SCHEMBL121880
LP010782
DTXSID30167877
AKOS024331265
ZINC100065855
MCULE-4647345596
EINECS 240-595-6
16528-77-1
Microorganism:

Yes

IUPAC name4-octadecylmorpholine
SMILESCCCCCCCCCCCCCCCCCCN1CCOCC1
InchiInChI=1S/C22H45NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-19-21-24-22-20-23/h2-22H2,1H3
FormulaC22H45NO
PubChem ID85475
Molweight339.608
LogP7.52
Atoms69
Bonds69
H-bond Acceptor2
H-bond Donor0
Chemical Classificationnitrogen compounds ethers

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaBacillus Strain D13antibacterialsoil Malaysia and Tibet, China General Microbial culture center CGMCCXie et al. 2016
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaBacillus Strain D13LBSPME-GC-MSno


N,N-dimethyloctanamide

Mass-Spectra

Compound Details

Synonymous names
NN-Dimethylcaprylamide
NN-Dimethyloctanamide
VHRUBWHAOUIMDW-UHFFFAOYSA-N
N,N-Dimethylcaprylamide
N,N-Dimethyloctanamide
QO63R4XJMK
AC1L23ET
UNII-QO63R4XJMK
2111AA
CTK0I0925
SCHEMBL168214
OCTANAMIDE, N,N-DIMETHYL-
DTXSID9027364
LP004720
FR-0709
CHEMBL3181960
SBB007989
DSSTox_CID_7364
ZINC2039897
A802439
AN-48558
DSSTox_GSID_27364
ANW-57413
AK-87625
ACM1118929
LS-97815
ZX-RL005884
MFCD00043763
C-49120
DSSTox_RID_78425
AI3-26660
TR-002329
DB-080742
I14-6844
W-109644
AKOS006228697
I14-2801
FT-0655213
FT-0655393
BRN 1754903
Tox21_301930
NCGC00255366-01
MCULE-6939177208
1118-92-9
EINECS 214-272-5
CAS-1118-92-9
MolPort-002-501-729
Microorganism:

Yes

IUPAC nameN,N-dimethyloctanamide
SMILESCCCCCCCC(=O)N(C)C
InchiInChI=1S/C10H21NO/c1-4-5-6-7-8-9-10(12)11(2)3/h4-9H2,1-3H3
FormulaC10H21NO
PubChem ID14240
Molweight171.284
LogP2.34
Atoms33
Bonds32
H-bond Acceptor1
H-bond Donor0
Chemical Classificationamides nitrogen compounds

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaBacillus Strain D13antibacterialsoil Malaysia and Tibet, China General Microbial culture center CGMCCXie et al. 2016
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaBacillus Strain D13LBSPME-GC-MSno


Tridecanoic Acid

Mass-Spectra

Compound Details

Synonymous names
Tridecanoicacid
Tridecylate
SZHOJFHSIKHZHA-UHFFFAOYSA-N
TRIDECANOIC ACID
Tridecylic acid
n-Tridecanoate
Tridecanoic acid anion
tridecansäure
tridecoic acid
n-Tridecoate
Tridecanoic acid, analytical standard
n-Tridecanoic acid
AC1L1ZSI
n-Tridecoic acid
tridecanoic acid (tridecylic acid)
6131AF
ACMC-209nix
SCHEMBL22778
Tridecanoic acid, >=98%
CTK1H1792
HMDB00910
Tridecanoic acid, 98%
(S)-2-Aminotridecanoate
CHEMBL107874
NSC25955
NSC69131
DB02448
C17076
WLN: QV12
19936LIY2V
C13:0
AK126530
CS-D1510
DTXSID4021684
SBB069518
SCHEMBL1686771
LP002592
UNII-19936LIY2V
ZINC1628119
A834559
CHEBI:45919
DSSTox_CID_1684
DSSTox_GSID_21684
Tridecanoic acid, technical grade, 90%
AN-20449
ANW-34759
AX8155143
TRA0024554
TL8004509
NSC-69131
CC-35306
NSC 25955
NSC 69131
NSC-25955
C-33591
LMFA01010013
(C10-C16)Alkylcarboxylic acid
DSSTox_RID_76282
MFCD00002741
RTR-021946
KB-261156
AI3-04166
LS-157146
TR-021946
NCIOpen2_003250
S14-1033
AKOS009156483
FT-0653520
BRN 0508317
Fatty acids, C10-16
Tox21_200537
638-53-9
(C10-C16) Carboxylic acid
NCGC00248684-01
NCGC00258091-01
EINECS 268-105-6
EINECS 211-341-1
CAS-638-53-9
68002-90-4
50354-80-8
MolPort-001-780-047
4-02-00-01117 (Beilstein Handbook Reference)
BCE7320D-E579-415F-96F0-658E54E16CF0
Microorganism:

Yes

IUPAC nametridecanoic acid
SMILESCCCCCCCCCCCCC(=O)O
InchiInChI=1S/C13H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h2-12H2,1H3,(H,14,15)
FormulaC13H26O2
PubChem ID12530
Molweight214.349
LogP4.92
Atoms41
Bonds40
H-bond Acceptor2
H-bond Donor1
Chemical Classificationcarboxylic acids

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaBacillus Strain D13antibacterialsoil Malaysia and Tibet, China General Microbial culture center CGMCCXie et al. 2016
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaBacillus Strain D13LBSPME-GC-MSyes