Results for:
Species: Pleurotus sajor-caju

3,4-dimethyldecane

Compound Details

Synonymous names
3,4-dimethyldecane
Decane, 3,4-dimethyl-
17312-45-7
3,4-Dimethyl decane
DTXSID00337944
Microorganism:

No

IUPAC name3,4-dimethyldecane
SMILESCCCCCCC(C)C(C)CC
InchiInChI=1S/C12H26/c1-5-7-8-9-10-12(4)11(3)6-2/h11-12H,5-10H2,1-4H3
FormulaC12H26
PubChem ID545624
Molweight170.33
LogP6.1
Atoms12
Bonds7
H-bond Acceptor0
H-bond Donor0
Chemical Classificationalkanes saturated hydrocarbons

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaPleurotus Sajor-cajunanaÇağlarırmak et al. 2007
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaPleurotus Sajor-cajunaGC/MSno


2,5-dimethyloctane

Compound Details

Synonymous names
2,5-Dimethyloctane
Octane, 2,5-dimethyl-
15869-89-3
DTXSID70871244
Q5651216
Microorganism:

No

IUPAC name2,5-dimethyloctane
SMILESCCCC(C)CCC(C)C
InchiInChI=1S/C10H22/c1-5-6-10(4)8-7-9(2)3/h9-10H,5-8H2,1-4H3
FormulaC10H22
PubChem ID139988
Molweight142.28
LogP5.1
Atoms10
Bonds5
H-bond Acceptor0
H-bond Donor0
Chemical Classificationalkanes saturated hydrocarbons

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaPleurotus Sajor-cajunanaÇağlarırmak et al. 2007
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaPleurotus Sajor-cajunaGC/MSno


4-ethyloctane

Mass-Spectra

Compound Details

Synonymous names
4-Ethyloctane
Octane, 4-ethyl-
15869-86-0
NSC23698
NSC 23698
DTXSID10871243
NSC-23698
AKOS006271539
DS-001423
Q5652285
Microorganism:

No

IUPAC name4-ethyloctane
SMILESCCCCC(CC)CCC
InchiInChI=1S/C10H22/c1-4-7-9-10(6-3)8-5-2/h10H,4-9H2,1-3H3
FormulaC10H22
PubChem ID85925
Molweight142.28
LogP5.3
Atoms10
Bonds6
H-bond Acceptor0
H-bond Donor0
Chemical Classificationalkanes saturated hydrocarbons
Supernatural-IDSN0253217

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaPleurotus Sajor-cajunanaÇağlarırmak et al. 2007
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaPleurotus Sajor-cajunaGC/MSno


Octadecanoic Acid

Mass-Spectra

Compound Details

Synonymous names
stearic acid
Octadecanoic acid
57-11-4
n-Octadecanoic acid
Stearophanic acid
Cetylacetic acid
1-Heptadecanecarboxylic acid
Pearl stearic
Stearex Beads
Octadecansaeure
Stearinsaeure
Vanicol
Hydrofol Acid 150
Century 1240
Glycon DP
Glycon TP
Industrene R
Stearate
Formula 300
Hydrofol 1895
Hystrene 7018
Hystrene 9718
Glycon S-80
Glycon S-90
octadecoic acid
Tegostearic 254
Tegostearic 255
Tegostearic 272
Hystrene 80
Humko Industrene R
Hydrofol acid 1655
Hydrofol acid 1855
Hystrene S-97
Hystrene T-70
Industrene 5016
Dar-chem 14
Emersol 120
Emersol 132
Hystrene 4516
Hystrene 5016
Groco 54
Groco 55
Groco 55L
Groco 58
Groco 59
Glycon S-70
Industrene 8718
Industrene 9018
Emersol 150
Kam 1000
Barolub FTA
FEMA No. 3035
Acidum stearinicul
C18:0
Caswell No. 801D
Oktadekansaeure
HY-Phi 1199
HY-Phi 1205
HY-Phi 1303
HY-Phi 1401
acide stearique
Kam 2000
Kam 3000
Steric acid
Century 1210
acide octadecanoique
Stearic acid, pure
PD 185
NAA 173
CCRIS 2305
Stearic acid 50
HSDB 2000
Emersol 153NF
Dervacid 3155
Purified stearic acid
Adeka sa 300
Century 1220
Century 1230
Emersol 6349
Hydrofol Acid 150 (VAN)
NSC 25956
Lunac S 40
Hydrofol Acid 1895
Prifac 2918
Promulsin
EPA Pesticide Chemical Code 079082
Vis-Plus
AI3-00909
UNII-4ELV7Z65AP
EINECS 200-313-4
n-Octadecylic acid
4ELV7Z65AP
NSC-25956
Pristerene 4900
Hystrene S 97
Hystrene T 70
Stearic Acid Cherry
Edenor C18
Edenor ST 1
Sunfat 18S
BRN 0608585
Emersol 153
Selosol 920
Stearic acid (TN)
Hystrene 9718NF
Kortacid 1895
Lunac 30
CH3-[CH2]16-COOH
DTXSID8021642
Loxiol G 20
CHEBI:28842
Lunac S 20
Lunac S 30
Lunac S 90
Lunac S 90KC
Hystrene 9718NFFG
MFCD00002752
NSC-261168
CHEMBL46403
17FA
DTXCID301642
EC 200-313-4
4-02-00-01206 (Beilstein Handbook Reference)
NSC25956
FA 18:0
NCGC00091596-02
STEARIC ACID (II)
STEARIC ACID [II]
400JB9103-88
A 1760
68937-76-8
STEARIC ACID (MART.)
STEARIC ACID [MART.]
STEARIC ACID (USP-RS)
STEARIC ACID [USP-RS]
CH3-(CH2)16-COOH
Oktadekansaure
Stearicacid
Lunac
STEARIC ACID (EP MONOGRAPH)
STEARIC ACID [EP MONOGRAPH]
CAS-57-11-4
Isostearic acid EX
Haimaric MKH(R)
Prisorine 3501
Prisorine 3502
Prisorine 3508
Emersol 871
Emersol 875
Emery 875D
Emery 871
Unimac 5680
C-Lube 10
Stearic acid [JAN:NF]
octadecansaure
Stearinsaure
Stearophanate
Stearex
Tsubaki
n-Octadecanoate
Bassinic acid
Lactaric acid
Talgic acid
Doctor Plus
Edenor htict-n
1hmr
1hmt
4fnn
Kiri stearic acid
Obeo Baby Bubble
Jinhwagwangsu Hair
Lunac YA
Palmitostearic acid
Stearic acid 70
Stearic acid, CP
Sterene 60b
Sterene 60r
EINECS 250-178-0
F 3 (lubricant)
Industrene 4518
Jinhwagwangsu Bubble
Nonsoul SK 1
Pristerene 4904
Pristerene 4910
Pristerene 4916
Pristerene 4963
Pristerene 4981
Pristerene 9429
Pristerene 9559
Pristerine 4989
CELOZOLE
fatty acid 18:0
Sterene 460
Industrene 5016K
Radiacid 0427
Edenor ST 20
Serfax MT 90
Stearic acid_ravikumar
Unister NAA 180
Century 1224
NORSOREX AP
Edenor HT-JG 60
Stearic acid (8CI)
Stearic acid, puriss.
Hyfac 410
Hyfac 420
Hyfac 421
Hyfac 422
Hystrene 7018 FG
Lunac S 50
Lunac S 98
Prifac 5905
3v2p
875D
1-Heptadecanecarboxylate
Industrene 7018 FG
AFCO-Chem B 65
Heptadecanecarboxylic acid
Edenor C 18/98
Octadecanoic acid (9CI)
Stearic acid, >=98%
SCHEMBL659
Hystrene 9718 NF FG
bmse000485
STEARIC ACID [MI]
Emery 400 (Salt/Mix)
NEO-FAT 18S
STEARIC ACID [DSC]
STEARIC ACID [JAN]
Stearic acid (JP15/NF)
Stearic acid (JP17/NF)
Emersol 110 (Salt/Mix)
STEARIC ACID [FHFI]
STEARIC ACID [HSDB]
STEARIC ACID [INCI]
NOPCOCERA LU 6418
Stearic acid (reagent grade)
STEARIC ACID [VANDF]
WLN: QV17
STEARIC ACID [WHO-DD]
GTPL3377
WO 2
UNII-X33R8U0062
CELLBN FIRST CARE CLEANSER
NAA 180
Nonsoul SN 1 (*Sodium salt*)
SNA-2000 (*Sodium salt*)
Stearic acid, analytical standard
VLZ 200
S 30C
PURIFIED STEARIC ACID [NF]
Stearic acid, reagent grade, 95%
HY-B2219
ZENOL POWERFULX RECOVERYCREAM
Tox21_111154
Tox21_201887
Tox21_300562
BBL012224
BDBM50240485
LMFA01010018
s5733
SA 200
Stearic acid, >=95%, FCC, FG
STL163565
AKOS005716958
Tox21_111154_1
CCG-267314
DB03193
FA 1655
MCULE-5127577640
NSC 261168
X33R8U0062
NCGC00091596-01
NCGC00091596-03
NCGC00091596-04
NCGC00091596-05
NCGC00254456-01
NCGC00259436-01
E570
VS-03242
Stearic acid, puriss., >=98.5% (GC)
Stearic acid, SAJ first grade, >=90.0%
CS-0021598
G 270
NS00010335
S 300
S0163
EN300-19730
Stearic acid, SAJ special grade, >=95.0%
Stearic acid, Vetec(TM) reagent grade, 94%
C01530
D00119
EC 250-178-0
F70008
Stearic acid 50, tested according to Ph.Eur.
Q209685
SR-01000944717
STEARIC ACID (CONSTITUENT OF SAW PALMETTO)
Melting Point Standard 69-71C, analytical standard
SR-01000944717-1
Stearic acid, Grade I, >=98.5% (capillary GC)
Stearic acid, SAJ first grade, >=90.0%, powder
F0001-1489
STEARIC ACID (CONSTITUENT OF SAW PALMETTO) [DSC]
Stearic acid, certified reference material, TraceCERT(R)
Z104474964
CD7993EA-AD14-452A-A907-33376CC98790
Stearic acid, European Pharmacopoeia (EP) Reference Standard
Stearic acid, United States Pharmacopeia (USP) Reference Standard
Stearic Acid, Pharmaceutical Secondary Standard; Certified Reference Material
18639-67-3
InChI=1/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20
Microorganism:

Yes

IUPAC nameoctadecanoic acid
SMILESCCCCCCCCCCCCCCCCCC(=O)O
InchiInChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20)
FormulaC18H36O2
PubChem ID5281
Molweight284.5
LogP7.4
Atoms20
Bonds16
H-bond Acceptor2
H-bond Donor1
Chemical Classificationacids carboxylic acids organic acids
CHEBI-ID28842
Supernatural-IDSN0306475

mVOC Specific Details

Boiling Point
DegreeReference
371 °C peer reviewed
Volatilization
An estimated pKa of 4.7(1) indicates stearic 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). Stearic acid is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 4.3X10-8 mm Hg at 25 deg C(3).
Literature: (1) SPARC; pKa/property server. Ver 3. Jan, 2006. Available at http://ibmlc2.chem.uga.edu/sparc/ as of Mar 5, 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 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 undissociated stearic acid is estimated as 710,000(SRC), using a log Kow of 8.23(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that undissociated stearic acid is expected to be immobile in soil. The estimated pKa of stearic acid is 4.75(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). However, the adsorption of stearate, the anion of stearic acid, was determined using relatively nonpolar marine sediment sand surfaces: anoxic clastic mud from Cape Lookout Bight, NC (3.5 g/g organic carbon, clay), fine carbonate beach sand from Kahana Stream, Oahu, HI (1.3 g/g organic carbon, fine sand and silty clay), and a fine carbonate sand from Waimanalo Beach, Oahu, HI (0.17 g/g organic carbon, fine-very fein sand)(6) Stearate exhibited Kds of 210, 140 and 36, respectively; overall averaging 99% adsorption(6).
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 5, 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) (6) Sansone FJ et al; Geochimica et Cosmochimica Acta 51: 1889-96 (1987)
Vapor Pressure
PressureReference
4.28X10-8 mm Hg at 25 deg C (est)Daubert, 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
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaAlpha ProteobacteriaStimulation of oviposition, directing egg laying to favorable habitat of Aedes aegypti.NAPonnusamy et al. 2008
ProkaryotaGamma ProteobacteriaStimulation of oviposition, directing egg laying to favorable habitat of Aedes aegypti.NAPonnusamy et al. 2008
ProkaryotaBacteroides Gracilisn/aNABrondz and Olsen 1991
ProkaryotaCampylobacter Fetusn/aNABrondz and Olsen 1991
ProkaryotaBacteroides Ureolyticusn/aNABrondz and Olsen 1991
ProkaryotaWolinella Succinogenesn/aNABrondz and Olsen 1991
ProkaryotaWolinella Curvan/aNABrondz and Olsen 1991
ProkaryotaWolinella Rectan/aNABrondz and Olsen 1991
ProkaryotaStreptomycetes Sp.n/aNAStritzke et al. 2004
EukaryotaPleurotus OstreatusnanaÇağlarırmak et al. 2007
EukaryotaPleurotus Sajor-cajunanaÇağlarırmak et al. 2007
ProkaryotaPseudomonas Simiaenarhizosphere of a soybean field in the province of Rajasthan, IndiaVaishnav et al. 2016
ProkaryotaBacillus SubtilisNANALee et al. 2023
Bacillus AcidiproducensKoilybayeva et al. 2023
Bacillus SafensisKoilybayeva et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaAlpha Proteobacterian/an/ano
ProkaryotaGamma Proteobacterian/an/ano
ProkaryotaBacteroides Gracilisn/an/ano
ProkaryotaCampylobacter Fetusn/an/ano
ProkaryotaBacteroides Ureolyticusn/an/ano
ProkaryotaWolinella Succinogenesn/an/ano
ProkaryotaWolinella Curvan/an/ano
ProkaryotaWolinella Rectan/an/ano
ProkaryotaStreptomycetes Sp.n/an/ano
EukaryotaPleurotus OstreatusnaGC/MSno
EukaryotaPleurotus Sajor-cajunaGC/MSno
ProkaryotaPseudomonas SimiaeNutrient broth; King's B agarGC/MSno
ProkaryotaBacillus SubtilisTryptone soy broth (TSB)HPLCno
Bacillus Acidiproducensbacteriological agar (BA, 15 g/L), gelatin peptone (GP, 5 g/L), and meat extract (ME, 3 g/L)GC–MSno
Bacillus Safensisbacteriological agar (BA, 15 g/L), gelatin peptone (GP, 5 g/L), and meat extract (ME, 3 g/L)GC–MSno


Hexadecanoic Acid

Mass-Spectra

Compound Details

Synonymous names
palmitic acid
Hexadecanoic acid
57-10-3
Cetylic acid
palmitate
n-Hexadecanoic acid
Hexadecylic acid
1-Pentadecanecarboxylic acid
Hydrofol
n-Hexadecoic acid
Palmitinic acid
hexaectylic acid
Pentadecanecarboxylic acid
hexadecoic acid
1-Hexyldecanoic Acid
Industrene 4516
Emersol 140
Emersol 143
Hystrene 8016
Hystrene 9016
Palmitinsaeure
Palmitic acid, pure
Palmitic acid 95%
Kortacid 1698
FEMA No. 2832
Loxiol EP 278
Palmitic acid (natural)
Hydrofol Acid 1690
Cetyl acid
Prifac 2960
C16:0
HSDB 5001
Pristerene 4934
Pristerene-4934
Edenor C16
NSC 5030
AI3-01594
Lunac P 95KC
Lunac P 95
Lunac P 98
CCRIS 5443
Prifac-2960
CHEBI:15756
NSC5030
NSC-5030
EINECS 200-312-9
UNII-2V16EO95H1
FA 16:0
BRN 0607489
Palmitic acid (NF)
DTXSID2021602
Glycon P-45
IMEX C 1498
2V16EO95H1
Hexadecanoic acid (9CI)
MFCD00002747
67701-02-4
Palmitic acid (7CI,8CI)
CHEMBL82293
DTXCID101602
CH3-[CH2]14-COOH
EC 200-312-9
4-02-00-01157 (Beilstein Handbook Reference)
n-hexadecoate
LMFA01010001
PA 900
EDENOR C 16-98-100
FA 1695
SURFAXIN COMPONENT PALMITIC ACID
1-hexyldecanoate
NCGC00164358-01
LUCINACTANT COMPONENT PALMITIC ACID
1219802-61-5
pentadecanecarboxylate
Hexadecanoic acid 10 microg/mL in Acetonitrile
HEXADECANOIC-11,11,12,12-D4 ACID
PALMITIC ACID (II)
PALMITIC ACID [II]
PALMITIC ACID (MART.)
PALMITIC ACID [MART.]
CH3-(CH2)14-COOH
Palmitic acid; Hexadecanoic acid
PLM
palmic acid
Hexadecanoate (n-C16:0)
PALMITIC ACID (EP MONOGRAPH)
PALMITIC ACID [EP MONOGRAPH]
Acid, Palmitic
CAS-57-10-3
Acid, Hexadecanoic
SR-01000944716
Palmitic acid [USAN:NF]
palmitoate
Hexadecoate
Palmitinate
Palmitinsaure
palmitic-acid
palmitoic acid
Hexadecanoicacid
Aethalic acid
Hexadecanoic acid Palmitic acid
2hmb
2hnx
Palmitic acid_jeyam
n-Hexadecyclic Acid
fatty acid 16:0
Palmitic Acid, FCC
Kortacid 1695
Palmitic acid_RaGuSa
Univol U332
Prifrac 2960
Hexadecanoic acid anion
Hexadecanoic--d5 Acid
3v2q
Palmitic acid, >=99%
bmse000590
Epitope ID:141181
CETYL ACID [VANDF]
PALMITIC ACID [MI]
SCHEMBL6177
PALMITIC ACID [DSC]
PALMITIC ACID [FCC]
PALMITIC ACID [FHFI]
PALMITIC ACID [HSDB]
PALMITIC ACID [INCI]
PALMITIC ACID [USAN]
FAT
WLN: QV15
1-MONOPALMITIN_met001
P5585_SIGMA
PALMITIC ACID [VANDF]
GTPL1055
QSPL 166
PALMITIC ACID [USP-RS]
PALMITIC ACID [WHO-DD]
(1(1)(3)C)hexadecanoic acid
1b56
HMS3649N08
Palmitic acid, analytical standard
Palmitic acid, BioXtra, >=99%
Palmitic acid, Grade II, ~95%
HY-N0830
Palmitic acid, natural, 98%, FG
Tox21_112105
Tox21_201671
Tox21_302966
AC9381
BBL011563
BDBM50152850
s3794
STL146733
Palmitic acid, >=95%, FCC, FG
AKOS005720983
Tox21_112105_1
CCG-267027
CR-0047
DB03796
MCULE-1361949901
Palmitic acid, for synthesis, 98.0%
NCGC00164358-02
NCGC00164358-03
NCGC00256424-01
NCGC00259220-01
BP-27917
Palmitic acid, purum, >=98.0% (GC)
SY006518
CS-0009861
NS00008548
P0002
P1145
Palmitic acid, SAJ first grade, >=95.0%
EN300-19603
C00249
D05341
Palmitic acid, Vetec(TM) reagent grade, 98%
PALMITIC ACID (CONSTITUENT OF SPIRULINA)
Palmitic acid, >=98% palmitic acid basis (GC)
A831313
Q209727
PALMITIC ACID (CONSTITUENT OF FLAX SEED OIL)
PALMITIC ACID (CONSTITUENT OF SAW PALMETTO)
SR-01000944716-1
SR-01000944716-2
BA71C79B-C9B1-451A-A5BE-B480B5CC7D0C
PALMITIC ACID (CONSTITUENT OF BORAGE SEED OIL)
PALMITIC ACID (CONSTITUENT OF SPIRULINA) [DSC]
F0001-1488
Z104474418
PALMITIC ACID (CONSTITUENT OF EVENING PRIMROSE OIL)
PALMITIC ACID (CONSTITUENT OF SAW PALMETTO) [DSC]
Palmitic acid, certified reference material, TraceCERT(R)
Palmitic acid, European Pharmacopoeia (EP) Reference Standard
Palmitic acid, United States Pharmacopeia (USP) Reference Standard
Palmitic acid, Pharmaceutical Secondary Standard; Certified Reference Material
Sodium Palmitate, Palmitic acid sodium salt, Sodium hexadecanoate, Sodium pentadecanecarboxylate, HSDB 759
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
Molweight256.42
LogP6.4
Atoms18
Bonds14
H-bond Acceptor2
H-bond Donor1
Chemical Classificationacids organic acids carboxylic acids
CHEBI-ID15756
Supernatural-IDSN0151530

mVOC Specific Details

Boiling Point
DegreeReference
351.5 °C peer reviewed
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
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaPseudomonas FluorescensPlant growth promotionrhizosphereJishma et al. 2017
ProkaryotaPseudomonas MonteiliiPlant growth promotionrhizosphereJishma et al. 2017
ProkaryotaPseudomonas PutidaPlant growth promotionrhizosphereJishma et al. 2017
ProkaryotaPseudomonas TaiwanensisPlant growth promotionrhizosphereJishma et al. 2017
ProkaryotaProteus Vulgarisrhizosphere of lahophyte plant, Glasswort (Salicornia herbacea L.)Yu et al. 2013
ProkaryotaPaenibacillus Polymyxaantifungal effects against Rhizopus stoloniferisolated from an ancient tree Cryptomeria fortune and deposited in China General Microbiological Culture Collection Center (CGMCC No. 15733)Wu et al. 2020
ProkaryotaPrevotella Buccaen/aNABrondz and Olsen 1991
ProkaryotaPrevotella Orisn/aNABrondz and Olsen 1991
ProkaryotaPrevotella Oralisn/aNABrondz and Olsen 1991
ProkaryotaPrevotella Disiensn/aNABrondz and Olsen 1991
ProkaryotaPrevotella Veroralisn/aNABrondz and Olsen 1991
ProkaryotaPrevotella Heparinolyticusn/aNABrondz and Olsen 1991
ProkaryotaBacteroides Fragilisn/aNABrondz and Olsen 1991
ProkaryotaPorphyromonas Endodontalisn/aNABrondz and Olsen 1991
ProkaryotaBacteroides Gracilisn/aNABrondz and Olsen 1991
ProkaryotaCampylobacter Fetusn/aNABrondz and Olsen 1991
ProkaryotaBacteroides Ureolyticusn/aNABrondz and Olsen 1991
ProkaryotaWolinella Succinogenesn/aNABrondz and Olsen 1991
ProkaryotaWolinella Curvan/aNABrondz and Olsen 1991
ProkaryotaWolinella Rectan/aNABrondz and Olsen 1991
ProkaryotaStreptomycetes Sp.n/aNAStritzke et al. 2004
ProkaryotaPseudomonas Simiaenarhizosphere of a soybean field in the province of Rajasthan, IndiaVaishnav et al. 2016
EukaryotaLentinula EdodesnanaÇağlarırmak et al. 2007
EukaryotaPleurotus Sajor-cajunanaÇağlarırmak et al. 2007
EukaryotaXylaria Sp.naHaematoxylon brasiletto, Morelos, MexicoSánchez-Ortiz et al. 2016
ProkaryotaBacillus Subtilisantibacterialsoil Malaysia and Tibet, China General Microbial culture center CGMCCXie et al. 2018
EukaryotaPleurotus EryngiinanaUsami et al. 2014
EukaryotaPleurotus CystidiosusnanaUsami et al. 2014
ProkaryotaSerratia Sp.NANAEtminani et al. 2022
ProkaryotaEnterobacter Sp.NANAEtminani et al. 2022
ProkaryotaPantoea Sp.NANAEtminani et al. 2022
EukaryotaZygosaccharomyces RouxiiNANAPei et al. 2022
EukaryotaSaccharomyces CerevisiaeNANAHarris et al. 2021
ProkaryotaEnterobacter Sp.NANAAlmeida et al. 2022
ProkaryotaBacillus SubtilisNANALee et al. 2023
Bacillus ToyonensisKoilybayeva et al. 2023
Bacillus AcidiproducensKoilybayeva et al. 2023
Bacillus CereusKoilybayeva et al. 2023
Bacillus SafensisKoilybayeva et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaPseudomonas FluorescensMR-VP brothGS-MSno
ProkaryotaPseudomonas MonteiliiMR-VP brothGS-MSno
ProkaryotaPseudomonas PutidaMR-VP brothGS-MSno
ProkaryotaPseudomonas TaiwanensisMR-VP brothGS-MSno
ProkaryotaProteus VulgarisLB agarSPME, GC-MSno
ProkaryotaPaenibacillus PolymyxaLB agar and M49 (minimal) mediaSPME/GC-MSyes
ProkaryotaPrevotella Buccaen/an/ano
ProkaryotaPrevotella Orisn/an/ano
ProkaryotaPrevotella Oralisn/an/ano
ProkaryotaPrevotella Disiensn/an/ano
ProkaryotaPrevotella Veroralisn/an/ano
ProkaryotaPrevotella Heparinolyticusn/an/ano
ProkaryotaBacteroides Fragilisn/an/ano
ProkaryotaPorphyromonas Endodontalisn/an/ano
ProkaryotaBacteroides Gracilisn/an/ano
ProkaryotaCampylobacter Fetusn/an/ano
ProkaryotaBacteroides Ureolyticusn/an/ano
ProkaryotaWolinella Succinogenesn/an/ano
ProkaryotaWolinella Curvan/an/ano
ProkaryotaWolinella Rectan/an/ano
ProkaryotaStreptomycetes Sp.n/an/ano
ProkaryotaPseudomonas SimiaeNutrient broth; King's B agarGC/MSno
EukaryotaLentinula EdodesnaGC/MSno
EukaryotaPleurotus Sajor-cajunaGC/MSno
EukaryotaXylaria Sp.PDA mediumSPME-GC/MSyes
ProkaryotaBacillus SubtilisLBSPME-GC-MSyes
EukaryotaPleurotus EryngiinaGC/MS, GC-O, AEDAno
EukaryotaPleurotus CystidiosusnaGC/MS, GC-O, AEDAno
ProkaryotaSerratia Sp.nutrient agar (NA)GC–MSno
ProkaryotaEnterobacter Sp.nutrient agar (NA)GC–MSno
ProkaryotaPantoea Sp.nutrient agar (NA)GC–MSno
EukaryotaZygosaccharomyces RouxiiYPD mediumGC-MSno
EukaryotaSaccharomyces Cerevisiaemalt extract brothHS-SPME with GC-MSno
ProkaryotaEnterobacter Sp.LB broth supplemented with cryoprotectant solution (25 g L−1 gelatin, 50 g L−1 lactose, 10 g L−1 peptone, and 250 g L−1 glycerol)SPME with gas chromatograph (Agilent 7890A, Agilent Technologies) connected to a mass spectrometer (Pegasus® HT TOFMS, LECO Corporation)no
ProkaryotaBacillus SubtilisTryptone soy broth (TSB)HPLCno
Bacillus Toyonensisbacteriological agar (BA, 15 g/L), gelatin peptone (GP, 5 g/L), and meat extract (ME, 3 g/L)GC–MSno
Bacillus Acidiproducensbacteriological agar (BA, 15 g/L), gelatin peptone (GP, 5 g/L), and meat extract (ME, 3 g/L)GC–MSno
Bacillus Cereusbacteriological agar (BA, 15 g/L), gelatin peptone (GP, 5 g/L), and meat extract (ME, 3 g/L)GC–MSno
Bacillus Safensisbacteriological agar (BA, 15 g/L), gelatin peptone (GP, 5 g/L), and meat extract (ME, 3 g/L)GC–MSno


Octan-3-ol

Mass-Spectra

Compound Details

Synonymous names
3-OCTANOL
Octan-3-ol
589-98-0
1-Ethylhexanol
Amyl ethyl carbinol
Ethyl-n-amylcarbinol
Ethylamylcarbinol
Octanol-3
Ethyl amyl carbinol
Amylethylcarbinol
D-n-Octanol
20296-29-1
3-Octyl Alcohol
dl-3-Octanol
n-Octan-3-ol
(S)-3-Octanol
FEMA No. 3581
Ethylhexyl alcohol
Ethyl pentyl carbinol
73DZ0U3U1E
CHEBI:80945
29063-28-3
3-Octanol (natural)
(3S)-3-octanol
(1)-Octan-3-ol
EINECS 209-667-4
EINECS 243-713-4
EINECS 249-405-6
BRN 1697461
UNII-73DZ0U3U1E
AI3-37213
(+/-)-3-OCTANOL
1-ethyl-1-hexanol
octan-3(R,S)-ol
3-Octanol, 97%
3-Octanol, 99%
3-OCTANOL [FCC]
3-OCTANOL [FHFI]
OCTEN-3-OL-
4-01-00-01756 (Beilstein Handbook Reference)
SCHEMBL112339
3-Octanol, analytical standard
CHEMBL487998
DTXSID10862252
3OL
AMY12157
3-OCTANOL, (+/-)-
LMFA05000568
MFCD00004590
3-Octanol, >=97%, FCC, FG
AKOS009156959
HY-W099689
MCULE-6682377557
3-Octanol, natural, >=97%, FCC, FG
CS-0152331
NS00013086
O0121
n-Amyl ethyl carbinol Ethyl n-pentyl carbinol
C17144
D78240
EN300-7230130
A814407
A832101
Q27154917
Microorganism:

Yes

IUPAC nameoctan-3-ol
SMILESCCCCCC(CC)O
InchiInChI=1S/C8H18O/c1-3-5-6-7-8(9)4-2/h8-9H,3-7H2,1-2H3
FormulaC8H18O
PubChem ID11527
Molweight130.23
LogP2.8
Atoms9
Bonds5
H-bond Acceptor1
H-bond Donor1
Chemical Classificationalcohols
CHEBI-ID80945
Supernatural-IDSN0249711

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaMycobacterium BovisNANAKüntzel et al. 2018
EukaryotaAspergillus NigerNANACosta et al. 2016
EukaryotaCandida AlbicansNANACosta et al. 2016
EukaryotaPenicillium ChrysogenumNANACosta et al. 2016
EukaryotaAspergillus Versicolorwild strainsSchleibinger et al. 2005
EukaryotaChaetomium Globosumwild strainsSchleibinger et al. 2005
EukaryotaEurotium Amstelodamiwild strainsSchleibinger et al. 2005
EukaryotaPenicillium Brevicompactumwild strainsSchleibinger et al. 2005
EukaryotaFomes Fomentarius160-year-old beech forest,51°46´N 9°34´E,Solling,low mountain range,central GermanyHolighaus et al. 2014
EukaryotaFusarium VerticillioidesNAUsseglio et al. 2017
EukaryotaMalassezia GlobosaFungal Biodiversity Center (WesterdijkInstitute, Utrecht, The Netherlands)Rios-Navarro et al. 2023
EukaryotaPenicillium CorymbiferumNAPierce et al. 1991
EukaryotaScopulariopsis BrevicaulisNAPierce et al. 1991
EukaryotaFusarium Sp.NAPierce et al. 1991
EukaryotaAspergillus Flavusn/aNAStotzky and Schenck 1976
EukaryotaTuber Melanosporumn/aNASplivallo et al. 2007
EukaryotaTuber Excavatumn/aFortywoodland of the Basilicata regionMauriello et al. 2004
EukaryotaTuber Aestivumn/aAgricultural Centre of Castilla and León Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).Diaz et al. 2003
EukaryotaTuber Uncinatumn/aFrance, Italy, Switzerland, the UK, Austria, Romania, and HungarySplivallo et al. 2012
EukaryotaTuber BorchiiInhibit the development of Arabidopsis thaliana and modify its oxidative metabolismNASplivallo et al. 2007
EukaryotaPenicillium Paneumn/aNAChitarra et al. 2004
EukaryotaPenicillium Chrysogenumn/aNAMeruva et al. 2004
EukaryotaAspergillus Flavusn/aNABeck et al. 2012
EukaryotaAspergillus Parasiticusn/aNABeck et al. 2012
EukaryotaAspergillus Nigern/aNABeck et al. 2012
EukaryotaPenicillium Glabrumn/aNABeck et al. 2012
EukaryotaRhizopus Stolonifern/aNABeck et al. 2012
EukaryotaAspergillus Ornatusn/aNAMeruva et al. 2004
EukaryotaTrichoderma Atroviriden/aNAStoppacher et al. 2010
EukaryotaTrichoderma VirensNACrutcher et al. 2013
EukaryotaTrichoderma AtrovirideNACrutcher et al. 2013
EukaryotaTrichoderma ReeseiNACrutcher et al. 2013
EukaryotaTrametes VersicolorNADrilling and Dettner 2009
EukaryotaAspergillus UstusNAPolizzi et al. 2012
EukaryotaAspergillus Versicolornadamp indoor environments, food productsSunesson et al. 1995
EukaryotaPiptoporus BetulinusnaSachsenwald near HamburgRösecke et al. 2000
EukaryotaFomitopsis PinicolanaGermanyRösecke et al. 2000
EukaryotaPleurotus EryngiinanaUsami et al. 2014
EukaryotaAspergillus SydowiinanaSteiner et al. 2007
EukaryotaAspergillus VersicolornanaSteiner et al. 2007
EukaryotaPleurotus Sajor-cajunanaÇağlarırmak et al. 2007
EukaryotaPenicillium ChrysogenumNoneNoneMeruva et al. 2004
ProkaryotaLentilactobacillus BuchneriNANASquara et al. 2022
ProkaryotaLacticaseibacillus ParacaseiNANASquara et al. 2022
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaMycobacterium BovisHEYMNTD/GC-MSno
EukaryotaAspergillus NigerYeast Glucose ChloramphenicolSPME/GCxGC-MSno
EukaryotaCandida AlbicansYeast Glucose ChloramphenicolSPME/GCxGC-MSno
EukaryotaPenicillium ChrysogenumYeast Glucose ChloramphenicolSPME/GCxGC-MSno
EukaryotaAspergillus Versicoloringrain (woodchip)SIM/GCMS / Tenaxno
EukaryotaChaetomium Globosumingrain (woodchip)SIM/GCMS / Tenaxno
EukaryotaEurotium Amstelodamiingrain (woodchip)SIM/GCMS / Tenaxno
EukaryotaPenicillium Brevicompactumingrain (woodchip)SIM/GCMS / Tenaxno
EukaryotaFomes FomentariusGC-MS (SIM)yes
EukaryotaFusarium VerticillioidesCzapek-dox agarSPME, GC-MSyes
EukaryotaMalassezia Globosamodified Dixon agarHS-SPME/GC-MSno
EukaryotaPenicillium CorymbiferumGC-FIDyes
EukaryotaScopulariopsis BrevicaulisGC-FIDyes
EukaryotaFusarium Sp.GC-FIDyes
EukaryotaAspergillus Flavusn/an/ano
EukaryotaTuber Melanosporumn/an/ano
EukaryotaTuber Excavatumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)no
EukaryotaTuber Aestivumn/aHeadspace solid-phase microextraction (HS-SPME) combined with GC-MSno
EukaryotaTuber Uncinatumn/aSPME-GC-MSno
EukaryotaTuber Borchiin/an/ano
EukaryotaPenicillium PaneumMalt extract mediumHeadspace analysis using a Fisons Instruments autosampler HS 800 (Interscience, Breda, The Netherlands) GC/MS.no
EukaryotaPenicillium ChrysogenumPotato dextrose agar Closedloop stripping analysis and GC/TOF-MS.no
EukaryotaAspergillus Flavuspotato dextrose agar and Polyunsaturated Fatty AcidsSPME/ GC-MSno
EukaryotaAspergillus Parasiticuspotato dextrose agar and Polyunsaturated Fatty AcidsSPME/ GC-MSno
EukaryotaAspergillus Nigerpotato dextrose agar and Polyunsaturated Fatty AcidsSPME/ GC-MSno
EukaryotaPenicillium Glabrumpotato dextrose agar and Polyunsaturated Fatty AcidsSPME/ GC-MSno
EukaryotaRhizopus Stoloniferpotato dextrose agar and Polyunsaturated Fatty AcidsSPME/ GC-MSno
EukaryotaAspergillus OrnatusPotato dextrose agar Closedloop stripping analysis and GC/TOF-MS.no
EukaryotaTrichoderma AtroviridePotato dextrose agarHS-SPME/GC-MS no
EukaryotaTrichoderma VirensPotato dextrose agarHS-SPME/GC-MS no
EukaryotaTrichoderma AtroviridePotato dextrose agarHS-SPME/GC-MS no
EukaryotaTrichoderma ReeseiPotato dextrose agarHS-SPME/GC-MS no
EukaryotaTrametes Versicolorno
EukaryotaAspergillus Ustusmalt extract agar (MEA), wallpaper, plasterboardSPME/GC-MS no
EukaryotaAspergillus VersicolorDG18GC/MSno
EukaryotaPiptoporus BetulinusnaGC/MSno
EukaryotaFomitopsis PinicolanaGC/MSno
EukaryotaPleurotus EryngiinaGC/MS, GC-O, AEDAno
EukaryotaAspergillus SydowiinaGC/MSno
EukaryotaAspergillus VersicolornaGC/MSno
EukaryotaPleurotus Sajor-cajunaGC/MSno
EukaryotaPenicillium ChrysogenumPotato dextrose agar Closedloop stripping analysis and GC/TOF-MS.yes
ProkaryotaLentilactobacillus Buchnerimaize silageHS-SPME coupled with GC-TOF MSno
ProkaryotaLacticaseibacillus Paracaseimaize silageHS-SPME coupled with GC-TOF MSno


(E)-dodec-9-en-1-ol

Compound Details

Synonymous names
35237-62-8
9-Dodecen-1-ol, (9E)-
TRANS-9-DODECEN-1-OL
(E)-dodec-9-en-1-ol
9-Dodecenol
(9E)-Dodecen-1-ol
9-Dodecen-1-ol
9-Dodecen-1-ol, (E)-
9E-Dodecen-1-ol
dodeca-9-en-1-ol
E-9-Dodecen-1-ol
(e)-9-dodecen-1-ol
9-Dodecen-1-ol, (Z)-
9-Dodecenol, E
9-Dodecenol, trans
LMFA05000024
(E)9-Dodecen-1-ol
AI3-35870
AI3-36900
(E)-9-Dodecenyl alcohol
(9E)-9-Dodecen-1-ol
SCHEMBL517911
SCHEMBL832706
9-Dodecen-1-o1, (E)-
9-Dodecen-1-o1, (Z)-
DTXSID60885613
CHEBI:165512
MFCD00041710
9E-Dodecen-1-ol CAS 35237-62-8
Q67879657
Microorganism:

No

IUPAC name(E)-dodec-9-en-1-ol
SMILESCCC=CCCCCCCCCO
InchiInChI=1S/C12H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h3-4,13H,2,5-12H2,1H3/b4-3+
FormulaC12H24O
PubChem ID5283277
Molweight184.32
LogP4.2
Atoms13
Bonds9
H-bond Acceptor1
H-bond Donor1
Chemical Classificationalcohols
CHEBI-ID165512
Supernatural-IDSN0107429-02

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaPleurotus Sajor-cajunanaÇağlarırmak et al. 2007
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaPleurotus Sajor-cajunaGC/MSno