Results for:
PubChem ID: 3893

Dodecanoic Acid

Mass-Spectra

Compound Details

Synonymous names
lauric acid
DODECANOIC ACID
143-07-7
n-Dodecanoic acid
Dodecylic acid
Vulvic acid
Laurostearic acid
Dodecoic acid
Duodecylic acid
1-Undecanecarboxylic acid
Aliphat No. 4
Ninol AA62 Extra
Wecoline 1295
Hydrofol acid 1255
Hydrofol acid 1295
Duodecyclic acid
Hystrene 9512
Univol U-314
Lauric acid, pure
Dodecylcarboxylate
Lauric acid (natural)
Laurinsaeure
Undecane-1-carboxylic acid
ABL
NSC-5026
FEMA No. 2614
laurate
C-1297
Philacid 1200
CCRIS 669
C12:0
Emery 651
Lunac L 70
CHEBI:30805
HSDB 6814
EINECS 205-582-1
UNII-1160N9NU9U
BRN 1099477
n-Dodecanoate
Kortacid 1299
Dodecanoic Acid Anion
DTXSID5021590
Prifrac 2920
AI3-00112
Lunac L 98
Univol U 314
Prifac 2920
1160N9NU9U
MFCD00002736
DAO
DTXCID801590
CH3-[CH2]10-COOH
NSC5026
EC 205-582-1
dodecylate
laurostearate
vulvate
4-02-00-01082 (Beilstein Handbook Reference)
DODECANOIC ACID (LAURIC ACID)
1-undecanecarboxylate
LAURIC ACID (USP-RS)
LAURIC ACID [USP-RS]
CH3-(CH2)10-COOH
8000-62-2
CAS-143-07-7
SMR001253907
laurinsaure
dodecanic acid
Nuvail
lauric-acid
Acide Laurique
n-Dodecanoicacid
3uil
Lauric acid (NF)
DODECANOICACID
fatty acid 12:0
Lauric Acid, Reagent
Nissan NAA 122
Emery 650
Dodecanoic acid, 98%
Dodecanoic acid, 99%
Guaranteed Reagent,99%
Dodecanoic (Lauric) acid
LAURIC ACID [MI]
bmse000509
LAURIC ACID [FCC]
LAURIC ACID [FHFI]
LAURIC ACID [INCI]
SCHEMBL5895
NCIOpen2_009480
MLS002177807
MLS002415737
WLN: QV11
Dodecanoic acid (lauric acid)
LAURIC ACID [WHO-DD]
Dodecanoic acid, >=99.5%
Edenor C 1298-100
DODECANOIC ACID [HSDB]
CHEMBL108766
GTPL5534
NAA 122
NAA 312
HMS2268C14
HMS3649N06
HY-Y0366
STR08039
Dodecanoic acid, analytical standard
Lauric acid, >=98%, FCC, FG
Tox21_202149
Tox21_303010
BDBM50180948
LMFA01010012
s4726
STL281860
AKOS000277433
CCG-266587
DB03017
FA 12:0
MCULE-2795129925
HYDROFOL ACID 1255 OR 1295
NCGC00090919-01
NCGC00090919-02
NCGC00090919-03
NCGC00256486-01
NCGC00259698-01
AC-16451
BP-27913
Dodecanoic acid, >=99% (GC/titration)
LAU
Dodecanoic acid, purum, >=96.0% (GC)
Lauric acid, natural, >=98%, FCC, FG
CS-0015078
L0011
NS00008441
EN300-19951
C02679
D10714
A808010
LAURIC ACID (CONSTITUENT OF SAW PALMETTO)
Q422627
SR-01000838338
J-007739
SR-01000838338-3
F0001-0507
LAURIC ACID (CONSTITUENT OF SAW PALMETTO) [DSC]
Z104476194
76C2A2EB-E8BA-40A6-8032-40A98625ED7B
Lauric acid, European Pharmacopoeia (EP) Reference Standard
Lauric acid, United States Pharmacopeia (USP) Reference Standard
Lauric Acid, Pharmaceutical Secondary Standard; Certified Reference Material
203714-07-2
7632-48-6
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
Molweight200.32
LogP4.2
Atoms14
Bonds10
H-bond Acceptor2
H-bond Donor1
Chemical Classificationacids carboxylic acids organic acids
CHEBI-ID30805
Supernatural-IDSN0291218

mVOC Specific Details

Boiling Point
DegreeReference
91.4 °C peer reviewed
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
Massbank-Links
Massbank Spectrum MSBNK-Antwerp_Univ-METOX_N105426_9CB7
Massbank Spectrum MSBNK-Antwerp_Univ-METOX_N105426_B8BB
Massbank Spectrum MSBNK-Athens_Univ-AU507901
Massbank Spectrum MSBNK-Athens_Univ-AU507902
Massbank Spectrum MSBNK-Athens_Univ-AU507903
Massbank Spectrum MSBNK-Athens_Univ-AU507904
Massbank Spectrum MSBNK-Athens_Univ-AU507905
Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP009203
Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP009571
Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP011337
Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP011566
Massbank Spectrum MSBNK-GL_Sciences_Inc-GLS00130
Massbank Spectrum MSBNK-Keio_Univ-KO001285
Massbank Spectrum MSBNK-Keio_Univ-KO001286
Massbank Spectrum MSBNK-Keio_Univ-KO001287
Massbank Spectrum MSBNK-Keio_Univ-KO001288
Massbank Spectrum MSBNK-Keio_Univ-KO001289
Massbank Spectrum MSBNK-Osaka_Univ-OUF00300

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaLactobacillus PlantarumNAYang et al. 2022
EukaryotaSaccharomyces CerevisiaeNATejero Rioseras et al. 2017
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
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
ProkaryotaBurkholderia Andropogonisn/aNABlom et al. 2011
ProkaryotaBacillus Cereusn/aNABlom et al. 2011
ProkaryotaBurkholderia Anthinan/aNABlom et al. 2011
ProkaryotaBurkholderia Caryophyllin/aNABlom et al. 2011
ProkaryotaBurkholderia Gladiolin/aNABlom et al. 2011
ProkaryotaBurkholderia Latan/aNABlom et al. 2011
ProkaryotaBurkholderia Tropican/aNABlom et al. 2011
ProkaryotaCellulomonas Udan/aNABlom et al. 2011
ProkaryotaCupriavidus Necatorn/aNABlom et al. 2011
ProkaryotaEscherichia Colin/aNABlom et al. 2011
ProkaryotaLimnobacter Thiooxidansn/aNABlom et al. 2011
ProkaryotaPandoraea Norimbergensisn/aNABlom et al. 2011
ProkaryotaPseudomonas Putidan/aNABlom et al. 2011
ProkaryotaSerratia Plymuthican/aNABlom et al. 2011
ProkaryotaSerratia Entomophilan/aNABlom et al. 2011
ProkaryotaBacillus Subtilisantibacterialsoil Malaysia and Tibet, China General Microbial culture center CGMCCXie et al. 2018
EukaryotaGanoderma Lucidumnasaprophytic on deciduous treesCampos Ziegenbein et al. 2006
ProkaryotaLentilactobacillus BuchneriNANASquara et al. 2022
ProkaryotaLacticaseibacillus ParacaseiNANASquara et al. 2022
EukaryotaZygosaccharomyces RouxiiNANAPei et al. 2022
EukaryotaSaccharomyces CerevisiaeNANAHarris et al. 2021
ProkaryotaBacillus SubtilisNANALee et al. 2023
EukaryotaSaccharomyces EubayanusNANAUrbina et al. 2020
Lactiplantibacillus PlantarumChen et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaLactobacillus Plantarumginkgo biloba kernel juicetriple quadrupole GC-MSno
EukaryotaSaccharomyces Cerevisiaeyeast nitrogen base, 2% glucoseSESI-HRMSno
ProkaryotaBacteroides Gracilisn/an/ano
ProkaryotaCampylobacter Fetusn/an/ano
ProkaryotaBacteroides Ureolyticusn/an/ano
ProkaryotaWolinella Succinogenesn/an/ano
ProkaryotaWolinella Curvan/an/ano
ProkaryotaWolinella Rectan/an/ano
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
ProkaryotaBurkholderia AndropogonisMR-VP and MS Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBacillus CereusAngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia AnthinaAngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia CaryophylliMR-VP Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia GladioliMSHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia LataMR-VP Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia LataMSHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia TropicaMSHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaCellulomonas UdaMR-VP and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaCupriavidus NecatorMR-VP and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaEscherichia ColiMR-VP, MS and Angle Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaLimnobacter ThiooxidansMR-VP and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaPandoraea NorimbergensisAngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaPseudomonas PutidaMR-VP Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaSerratia PlymuthicaAngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaSerratia EntomophilaAngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBacillus SubtilisLBSPME-GC-MSyes
EukaryotaGanoderma LucidumnaGC/MSno
ProkaryotaLentilactobacillus Buchnerimaize silageHS-SPME coupled with GC-TOF MSno
ProkaryotaLacticaseibacillus Paracaseimaize silageHS-SPME coupled with GC-TOF MSno
EukaryotaZygosaccharomyces RouxiiYPD mediumGC-MSno
EukaryotaSaccharomyces Cerevisiaemalt extract brothHS-SPME with GC-MSno
ProkaryotaBacillus SubtilisTryptone soy broth (TSB)HPLCno
EukaryotaSaccharomyces Eubayanusbeer wortHS-SPME-GC-MSno
Lactiplantibacillus Plantarumfermentation of ginkgo kernel juiceGC-IMSno