Results for:
PubChem ID: 2969

Decanoic Acid

Mass-Spectra

Compound Details

Synonymous names
Decanoic acid
CAPRIC ACID
334-48-5
n-Decanoic acid
n-Capric acid
Decoic acid
Decylic acid
Caprinic acid
n-Decylic acid
1-Nonanecarboxylic acid
Caprynic acid
n-Decoic acid
Hexacid 1095
Econosan Acid Sanitizer
NSC 5025
Decanoic acid (natural)
FEMA No. 2364
C10:0
Dekansaeure
Emery 659
Kaprinsaeure
CCRIS 4610
HSDB 2751
EINECS 206-376-4
UNII-4G9EDB6V73
EPA Pesticide Chemical Code 128955
BRN 1754556
4G9EDB6V73
DTXSID9021554
Prifac 296
CHEBI:30813
AI3-04453
Prifac 2906
NSC-5025
MFCD00004441
Lunac 10-95
Lunac 10-98
PRIFAC-2906
DTXCID201554
PALMAC-99-10
NSC5025
caprynate
decoate
decylate
4-02-00-01041 (Beilstein Handbook Reference)
n-caprate
n-decoate
n-decylate
Lead caprate
NCGC00091320-02
1-nonanecarboxylate
Decanoic acid anion
DKA
CH3-(CH2)8-COOH
CH3-[CH2]8-COOH
Versatic 10
CAS-334-48-5
caprinsaure
decansaure
Decansaeure
Docansaure
Decatoic acid
1-decanoic acid
nonanecarboxylic acid
fatty acid 10:0
Prifrac 296
Prifrac 2906
Acid C10
Decanoic acid, 96%
Decansaeure (Altstoff)
Nonane-1-carboxylic acid
DECANsaure (ALTSTOFF)
bmse000370
CAPRIC ACID [INCI]
SCHEMBL2682
WLN: QV9
DECANOIC ACID [FCC]
Decanoic acid (Capric acid)
N-CAPRIC ACID [MI]
DECANOIC ACID [FHFI]
DECANOIC ACID [HSDB]
Decanoic acid, >=98.0%
MLS002415724
IS_D19-DECANOIC ACID
(1(1)(3)C)Decanoic acid
CHEMBL107498
GTPL5532
1-NONANE CARBOXYLIC ACID
N-CAPRIC ACID [WHO-DD]
Decanoic acid, lead (2+) salt
NAA 102
Decanoic acid, analytical standard
HMS2267B15
Decanoic acid, >=98.0% (GC)
Tox21_113533
Tox21_202209
Tox21_300366
LMFA01010010
s6906
STL445666
Decanoic acid, >=98%, FCC, FG
AKOS000119623
CS-W016025
DB03600
FA 10:0
HY-W015309
MCULE-3914949169
USEPA/OPP Pesticide Code: 128955
NCGC00091320-01
NCGC00091320-03
NCGC00091320-04
NCGC00091320-05
NCGC00254437-01
NCGC00259758-01
AS-14704
BP-27911
FA(10:0)
SMR001252255
SY061635
D0017
Decanoic acid, natural, >=98%, FCC, FG
NS00005224
EN300-19724
C-1095
C01571
D70225
A875289
CAPRIC ACID (CONSTITUENT OF SAW PALMETTO)
Q422613
W-202368
CAPRIC ACID (CONSTITUENT OF SAW PALMETTO) [DSC]
Z104474944
98230577-0D20-4F70-B532-00AC60132CFE
InChI=1/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12
1-(S)- cis 9-Aminooctahydro-10-oxo-6H-pyridazino[1,2-a][1,2]diazepine-1-carboxylic acid, t-butyl ester
Microorganism:

Yes

IUPAC namedecanoic acid
SMILESCCCCCCCCCC(=O)O
InchiInChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12)
FormulaC10H20O2
PubChem ID2969
Molweight172.26
LogP4.1
Atoms12
Bonds8
H-bond Acceptor2
H-bond Donor1
Chemical Classificationacids carboxylic acids organic acids
CHEBI-ID30813
Supernatural-IDSN0106142

mVOC Specific Details

Boiling Point
DegreeReference
268.7 °C peer reviewed
Volatilization
A pKa of 4.90(1) indicates decanoic 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). Decanoic acid is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 3.66X10-4 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) Baccanari DP et al; Trans Faraday Soc 64: 1201-5 (1968)
Soil Adsorption
The Koc of undissociated decanoic acid is estimated as 4,000 forthe free acid Kow of 4.09(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that undissociated decanoic acid is expected to have slight mobility in soil. The pKa of decanoic 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) Hansch C et al; Exploring QSAR. Hydrophobic, Electronic, and Steric Constants. ACS Prof Ref Book. Heller SR, consult. ed., Washington, DC: Amer Chem Soc p. 81 (1995) (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
3.66X10-4 mm Hg at 25 deg CBaccanari DP et al; Trans Faraday Soc 64: 1201-5 (1968)
MS-Links
MS-MS Spectrum 735 - Quattro_QQQ 25V Positive delivery=Flow_Injection analyzer=Triple_Quad
MS-MS Spectrum 734 - Quattro_QQQ 10V Positive delivery=Flow_Injection analyzer=Triple_Quad
MS-MS Spectrum 4140 - LC-ESI-QQ (API3000, Applied Biosystems) 30V Negative
MS-MS Spectrum 21914
MS-MS Spectrum 201631
MS-MS Spectrum 8107
MS-MS Spectrum 8106
MS-MS Spectrum 4139 - LC-ESI-QQ (API3000, Applied Biosystems) 20V Negative
MS-MS Spectrum 201633
MS-MS Spectrum 201634
MS-MS Spectrum 14779
MS-MS Spectrum 20364
MS-MS Spectrum 201632
MS-MS Spectrum 14777
MS-MS Spectrum 14778
MS-MS Spectrum 4142 - LC-ESI-QQ (API3000, Applied Biosystems) 50V Negative
MS-MS Spectrum 4137 - EI-B (HITACHI M-80B) Positive
MS-MS Spectrum 21915
MS-MS Spectrum 8105
MS-MS Spectrum 4141 - LC-ESI-QQ (API3000, Applied Biosystems) 40V Negative
MS-MS Spectrum 20365
MS-MS Spectrum 21916
MS-MS Spectrum 4138 - LC-ESI-QQ (API3000, Applied Biosystems) 10V Negative
MS-MS Spectrum 736 - Quattro_QQQ 40V Positive delivery=Flow_Injection analyzer=Triple_Quad
MS-MS Spectrum 20363
1D-NMR-Links
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaSaccharomyces CerevisiaeNATejero Rioseras et al. 2017
EukaryotaCandida AlbicansATCC MYA-2876, American Type Culture CollectionCosta et al. 2020
EukaryotaCandida GlabrataATCC 90030, American Type Culture CollectionCosta et al. 2020
EukaryotaCandida TropicalisATCC 750, American Type Culture CollectionCosta et al. 2020
ProkaryotaPantoea Vagansantifungal effect on the growth of Alternaria alternata, Corynespora cassiicola and Stemphylium lycopersici (pathogens of tomato plants)leaves of tomato plants (Elpida F1, Enza Zaden) with symptoms of Gray leaf spotLópez et al. 2021
ProkaryotaLactobacillus Casein/aNATracey and Britz 1989
ProkaryotaLactobacillus Plantarumn/aNATracey and Britz 1989
ProkaryotaPediococcus Damnosusn/aNATracey and Britz 1989
ProkaryotaLeuconostoc Cremorisn/aNATracey and Britz 1989
ProkaryotaLeuconostoc Dextranicumn/aNATracey and Britz 1989
ProkaryotaLactococcus Lactisn/aNATracey and Britz 1989
ProkaryotaLeuconostoc Mesenteroidesn/aNATracey and Britz 1989
ProkaryotaLeuconostoc Paramesenteroidesn/aNATracey and Britz 1989
ProkaryotaOenococcus Oenin/aNATracey and Britz 1989
ProkaryotaLentilactobacillus BuchneriNANASquara et al. 2022
ProkaryotaLacticaseibacillus ParacaseiNANASquara et al. 2022
EukaryotaZygosaccharomyces RouxiiNANAPei et al. 2022
EukaryotaSaccharomyces CerevisiaeNANAGe et al. 2021
EukaryotaSaccharomyces EubayanusNANAMardones et al. 2022
ProkaryotaPeribacillus Sp.NANAToral et al. 2021
EukaryotaSaccharomyces EubayanusNANAUrbina et al. 2020
EukaryotaSaccharomyces CerevisiaeNANAZhao et al. 2022
EukaryotaSaturnispora DiversaNANAZhao et al. 2022
Lactiplantibacillus PlantarumChen et al. 2023
Bacillus ToyonensisKoilybayeva et al. 2023
Bacillus CereusKoilybayeva et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaSaccharomyces Cerevisiaeyeast nitrogen base, 2% glucoseSESI-HRMSno
EukaryotaCandida AlbicansYGC mediaHS-SPME/GC-GC-ToFMSno
EukaryotaCandida GlabrataYGC mediaHS-SPME/GC-GC-ToFMSno
EukaryotaCandida TropicalisYGC mediaHS-SPME/GC-GC-ToFMSno
ProkaryotaPantoea VagansTYB mediaGC-MSno
ProkaryotaLactobacillus Casein/an/ano
ProkaryotaLactobacillus Plantarumn/an/ano
ProkaryotaPediococcus Damnosusn/an/ano
ProkaryotaLeuconostoc Cremorisn/an/ano
ProkaryotaLeuconostoc Dextranicumn/an/ano
ProkaryotaLactococcus Lactisn/an/ano
ProkaryotaLeuconostoc Mesenteroidesn/an/ano
ProkaryotaLeuconostoc Paramesenteroidesn/an/ano
ProkaryotaOenococcus Oenin/an/ano
ProkaryotaLentilactobacillus Buchnerimaize silageHS-SPME coupled with GC-TOF MSno
ProkaryotaLacticaseibacillus Paracaseimaize silageHS-SPME coupled with GC-TOF MSno
EukaryotaZygosaccharomyces RouxiiYPD mediumGC-MSno
EukaryotaSaccharomyces Cerevisiaegrape juiceLC-15C HPLCno
EukaryotaSaccharomyces EubayanusYPD agar media (yeast extract 1%, peptone 2%, glucose 2% and agar 2%)HS‐SPME‐GC‐MSno
ProkaryotaPeribacillus Sp.MOLPHS-SPME-GC/MSno
EukaryotaSaccharomyces Eubayanusbeer wortHS-SPME-GC-MSno
EukaryotaSaccharomyces Cerevisiaesynthetic grape juiceHS-SPMEno
EukaryotaSaturnispora Diversasynthetic grape juiceHS-SPMEno
Lactiplantibacillus Plantarumfermentation of ginkgo kernel juiceGC-IMSno
Bacillus Toyonensisbacteriological 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