Results for:
PubChem ID: 7800

Ethyl Dodecanoate

Mass-Spectra

Compound Details

Synonymous names	Ethyl dodecanoate ETHYL LAURATE 106-33-2 Dodecanoic acid, ethyl ester Lauric acid ethyl ester Ethyl laurinate Ethyl dodecylate Lauric acid, ethyl ester Ethyl n-dodecanoate Ethyllaurate FEMA No. 2441 dodecanoic acid ethyl ester Ethyl n-dodecanote MFCD00015065 F389D4MD5K DTXSID4047044 CHEBI:87427 Ethyl Laurate(Ethyl Dodecanoate) DODECANOIC ACID,ETHYL ESTER NSC-8912 NSC-83467 WE(2:0/12:0) Ethyl laurate (natural) EINECS 203-386-0 NSC 83467 dodecanoic acid-ethyl ester UNII-F389D4MD5K AI3-00645 Ethyl ester dodecanoic acid ETHYL LAURATE [MI] SCHEMBL8538 ETHYL LAURATE [FCC] NCIOpen2_004797 ETHYL LAURATE [FHFI] ETHYL LAURATE [INCI] Ethyl ester of dodecanoic acid ETHYL LAURATE [USP-RS] CHEMBL3187842 DTXCID2027044 FEMA 2441 Lauric acid, ethyl ester (8CI) NSC8912 Ethyl laurate, analytical standard NSC83467 Tox21_300967 LMFA07010464 Ethyl laurate, >=98%, FCC, FG AKOS009157278 Ethyl dodecanoate, >=98.0% (GC) CS-W010400 HY-W009684 MCULE-6150658986 NCGC00248234-01 NCGC00254870-01 BS-14294 CAS-106-33-2 SY037739 Ethyl laurate, natural, >=98%, FCC, FG L0013 NS00012426 D70267 EN300-1265982 A934209 Ethyl dodecanoate, Vetec(TM) reagent grade, 98% J-001577 Q18023029 F8889-6672 Ethyl Laurate; Ethyl dodecanoate; Dodecanoic acid ethyl ester Ethyl laurate, United States Pharmacopeia (USP) Reference Standard InChI=1/C14H28O2/c1-3-5-6-7-8-9-10-11-12-13-14(15)16-4-2/h3-13H2,1-2H
Microorganism:	Yes
IUPAC name	ethyl dodecanoate
SMILES	CCCCCCCCCCCC(=O)OCC
Inchi	InChI=1S/C14H28O2/c1-3-5-6-7-8-9-10-11-12-13-14(15)16-4-2/h3-13H2,1-2H3
Formula	C14H28O2
PubChem ID	7800
Molweight	228.37
LogP	5.6
Atoms	16
Bonds	12
H-bond Acceptor	2
H-bond Donor	0
Chemical Classification	esters
CHEBI-ID	87427
Supernatural-ID	SN0229913

mVOC Specific Details

Boiling Point	Degree Reference 269 median
MS-Links	MS-MS Spectrum 142384 MS-MS Spectrum 81304 MS-MS Spectrum 142383 MS-MS Spectrum 81303 MS-MS Spectrum 81305 MS-MS Spectrum 142385
1D-NMR-Links	1D NMR Spectrum 4545 1D NMR Spectrum 4427
Massbank-Links	Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP006547 Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP010761 Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP010779

Species emitting the compound

Kingdom Species Biological Function Origin/Habitat Reference Prokaryota Escherichia Coli NA NA Fitzgerald et al. 2021 Prokaryota Bacillus Wiedmannii antifungal activity against Fusarium solani Environmental Biotechnology Laboratory of CIATEJ, Guadalajara (state of Jalisco), Mexico; isolated in from agricultural soil Gutiérrez-Santa Ana et al. 2020 Prokaryota Azospirillum Brasilense promotion of performance of Chlorella sorokiniana Shih culture collection DSMZ 1843 Amavizca et al. 2017 Prokaryota Lentilactobacillus Buchneri NA NA Squara et al. 2022 Prokaryota Lacticaseibacillus Paracasei NA NA Squara et al. 2022 Eukaryota Saccharomyces Cerevisiae NA NA Harris et al. 2021 Eukaryota Saccharomyces Eubayanus NA NA Mardones et al. 2022 Eukaryota Hanseniaspora Uvarum NA NA Mozūraitis et al. 2022 Eukaryota Pichia Kudriavzevii NA NA Mozūraitis et al. 2022 Eukaryota Pichia Fermentans NA NA Mozūraitis et al. 2022 Eukaryota Saccharomyces Eubayanus NA NA Urbina et al. 2020 Eukaryota Meyerozyma Guilliermondii NA NA Zhao et al. 2022 Eukaryota Saccharomyces Cerevisiae NA NA Zhao et al. 2022 Eukaryota Saturnispora Diversa NA NA Zhao et al. 2022 Eukaryota Wickerhamomyces Anomalus NA NA Zhao et al. 2022 Cyberlindnera Fabianii Ma et al. 2023 Debaryomyces Hansenii Li et al. 2023

Method

Kingdom Species Growth Medium Applied Method Verification Prokaryota Escherichia Coli BHI SPME/GC-MS no Prokaryota Escherichia Coli TSB SPME/GC-MS no Prokaryota Bacillus Wiedmannii LB media SPME/GC-MS no Prokaryota Azospirillum Brasilense TSA SPME-GC no Prokaryota Lentilactobacillus Buchneri maize silage HS-SPME coupled with GC-TOF MS no Prokaryota Lacticaseibacillus Paracasei maize silage HS-SPME coupled with GC-TOF MS no Eukaryota Saccharomyces Cerevisiae malt extract broth HS-SPME with GC-MS no Eukaryota Saccharomyces Eubayanus YPD agar media (yeast extract 1%, peptone 2%, glucose 2% and agar 2%) HS‐SPME‐GC‐MS no Eukaryota Hanseniaspora Uvarum YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar) SPME-GC-MS no Eukaryota Pichia Kudriavzevii YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar) SPME-GC-MS no Eukaryota Pichia Fermentans YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar) SPME-GC-MS no Eukaryota Saccharomyces Eubayanus beer wort HS-SPME-GC-MS no Eukaryota Meyerozyma Guilliermondii synthetic grape juice HS-SPME no Eukaryota Saccharomyces Cerevisiae synthetic grape juice HS-SPME no Eukaryota Saturnispora Diversa synthetic grape juice HS-SPME no Eukaryota Wickerhamomyces Anomalus synthetic grape juice HS-SPME no Cyberlindnera Fabianii tuna cooking liquid HS-SPME-GC/MS no Debaryomyces Hansenii meat with coconut oil GC-MS no