Results for:
PubChem ID: 3893

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