Results for:
PubChem ID: 2969

Decanoic Acid

Mass-Spectra

Compound Details

Synonymous names
Kaprinsaeure
nonanecarboxylic acid
Capricacid
Dekansaeure
caprynate
decanoate
decylate
GHVNFZFCNZKVNT-UHFFFAOYSA-N
decoate
1-nonanecarboxylate
Caprinic acid
Caprynic acid
Decanoic acid
Econosan Acid Sanitizer
CAPRIC ACID
CRC
Decoic acid
Decylic acid
DKA
Lead caprate
NON
1-Nonanecarboxylic acid
Decanoic acid anion
n-caprate
n-decoate
n-decylate
tert-DECANOIC ACID
AC1L1EVN
Decanoic acid, analytical standard
n-Decanoic acid
n-Decylic acid
n-Capric acid
n-Decoic acid
1-decanoic acid
Nonane-1-carboxylic acid
Versatic 10
ACMC-1CKM4
Nat. Decanoic Acid
SCHEMBL2682
Acid C10
GTPL5532
KSC222I3L
M249
Versatic 10 acid
C10 fatty acid
Decanoic acid (natural)
NSC5025
Prifac 296
Prifrac 296
4G9EDB6V73
CTK1C2435
D0017
Emery 659
HMDB00511
WLN: QV9
C10H20O2
CHEMBL107498
DB03600
Decanoic acid (Capric acid)
Hexacid 1095
Neo-fat 10
Prifac 2906
RL03222
bmse000370
C01571
C10:0
CCRIS 4610
Decanoic acid, 96%
HMS2267B15
HSDB 2751
UNII-4G9EDB6V73
AK309802
AN-1412
DTXSID9021554
Fatty acid(C10)
Jsp006130
LP003921
LS-1213
NSC 5025
NSC-5025
SBB060022
STL445666
UNII-DI775RT244 component GHVNFZFCNZKVNT-UHFFFAOYSA-N
CHEBI:30813
DSSTox_CID_1554
ZINC1529229
ANW-27636
DSSTox_GSID_21554
LS-59338
DSSTox_RID_76208
LMFA01010010
Lunac 10-95
Lunac 10-98
MFCD00004441
AI3-04453
Decanoic acid, >=98.0%
RTR-013994
ST51046284
TR-013994
AKOS000119623
EPA Pesticide Chemical Code 128955
I04-1206
W-202368
BRN 1754556
FEMA No. 2364
FT-0665532
MLS002415724
SMR001252255
CH3-[CH2]8-COOH
I04-12785
Tox21_113533
Tox21_202209
Tox21_300366
334-48-5
C10:0 (Lipid numbers)
Z1259273370
Decanoic acid, >=98%, FCC, FG
MCULE-3914949169
NCGC00091320-01
NCGC00091320-02
NCGC00091320-03
NCGC00091320-04
NCGC00091320-05
NCGC00254437-01
NCGC00259758-01
CAS-334-48-5
Decanoic acid, 99% 250g
EINECS 206-376-4
Decanoic acid, lead (2+) salt
Decanoic acid, >=98.0% (GC)
CAPRIC ACID, 99.5% (GLC)
Decanoic acid, natural, >=98%, FCC, FG
MolPort-000-881-523
1002-62-6 (hydrochloride salt)
4-02-00-01041 (Beilstein Handbook Reference)
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
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
Molweight172.268
LogP3.59
Atoms32
Bonds31
H-bond Acceptor2
H-bond Donor1
Chemical ClassificationAcids carboxylic acids

mVOC Specific Details

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

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
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
BacteriaPediococcus Damnosus DSM 20331n/aTracey and Britz, 1989
Method