Results for:
PubChem ID: 454

Compound Details

Synonymous names
Octanal
124-13-0
Caprylaldehyde
Caprylic aldehyde
n-Octanal
1-octanal
n-Octyl aldehyde
n-Octaldehyde
n-Caprylaldehyde
Octanaldehyde
n-Octanaldehyde
Octyl aldehyde
n-Octylal
Aldehyde C-8
Octanoic aldehyde
C-8 aldehyde
Octaldehyde
OCTYLALDEHYDE
1-Octylaldehyde
1-Octaldehyde
1-Caprylaldehyde
Aldehyde C8
Antifoam-LF
Oktylaldehyd
Oktanal
Octanal, tech.
Caprylaldehyd
FEMA No. 2797
Kaprylaldehyd
Octylaldehyd
NSC 1508
ALDEHIDO C-8
MFCD00007029
CHEMBL18407
DTXSID3021643
CHEBI:17935
Albumin tannate
NSC1508
XGE9999H19
NSC-1508
NSC-8969
WLN: VH7
Octanal (natural)
DTXCID701643
Octyl aldehydes
CAS-124-13-0
HSDB 5147
EINECS 204-683-8
BRN 1744086
n-octylaldehyde
Capryl aldehyde
UNII-XGE9999H19
AI3-03961
n -octanal
octan-1-one
octan-8-one
OYA
Octanal, 99%
OCTANAL [FCC]
N-OCTANAL [FHFI]
bmse000851
EC 204-683-8
Octanal, analytical standard
OCTYLALDEHYDE [HSDB]
SCHEMBL28601
4-01-00-03337 (Beilstein Handbook Reference)
CAPRYLIC ALDEHYDE [MI]
QSPL 183
OCTANAL (ALDEHYDE C-8)
NSC8969
Octanal, >=95%, FCC, FG
HY-N8015
STR04459
Tox21_201415
Tox21_300337
BDBM50028817
LMFA06000028
AKOS009031567
MCULE-7111365457
Octanal, natural, >=95%, FCC, FG
NCGC00247997-01
NCGC00247997-02
NCGC00254427-01
NCGC00258966-01
CS-0138976
NS00009660
O0044
EN300-19768
C01545
G73533
Q416673
J-660019
Q-200605
InChI=1/C8H16O/c1-2-3-4-5-6-7-8-9/h8H,2-7H2,1H
27457-18-7
Microorganism:

Yes

IUPAC nameoctanal
SMILESCCCCCCCC=O
InchiInChI=1S/C8H16O/c1-2-3-4-5-6-7-8-9/h8H,2-7H2,1H3
FormulaC8H16O
PubChem ID454
Molweight128.21
LogP2.7
Atoms9
Bonds6
H-bond Acceptor1
H-bond Donor0
Chemical Classificationaldehydes
CHEBI-ID17935
Supernatural-IDSN0255510

mVOC Specific Details

Boiling Point
DegreeReference
171 deg CLide, D.R. CRC Handbook of Chemistry and Physics 88TH Edition 2007-2008. CRC Press, Taylor & Francis, Boca Raton, FL 2007, p. 3-402
Volatilization
The Henry's Law constant for octylaldehyde is 5.14X10-4 atm-cu m/mole(1). This Henry's Law constant indicates that octylaldehyde is expected to volatilize from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as 5 hrs(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 5 days(SRC). Octylaldehyde's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of octylaldehyde from dry soil surfaces may exist based upon a vapor pressure of 1.18 mm Hg(3).
Literature: (1) Buttery RG et al; J Agric Food Chem 17: 385-9 (1969) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals: Data Compilation. Design Inst Phys Prop Data, Amer Inst Chem Eng. Hemisphere Publ Corp, NY, NY, 4 Vol (1987)
Soil Adsorption
The Koc of octylaldehyde is estimated as 130(SRC), using a water solubility of 560 mg/L(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that octylaldehyde is expected to have high mobility in soil.
Literature: (1) Yalkowsky SH, Dannenfelser RM; Aquasol Database of Aqueous Solubility. V5. College of Pharmacy, University of Arizona-Tucson, AZ. PC Version (1992) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 4-5 (1990) (3) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
1.18 mm Hg at 25 deg C (est)Daubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.
MS-Links
1D-NMR-Links
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaBurkholderia CepaciaNANADryahina et al. 2016
ProkaryotaPseudomonas AeruginosaNANADryahina et al. 2016
ProkaryotaStaphylococcus AureusNANADryahina et al. 2016
ProkaryotaStenotrophomonas MaltophiliaNANADryahina et al. 2016
EukaryotaPythium OligandrumStrong inhibition of growth of plant pathogen Pythium myriotylum;Pythium oligandrum GAQ1 strain was isolated from soil from a field where infected ginger was growing in Laiwu district, Jinan City, Shandong Province, China. China General Microbiological Culture Collection Center (CGMCC) deposit number No. 17470.Sheikh et al. 2023
EukaryotaFusarium Acuminatumroots of two species of the Brassicaceae family Microthlaspi perfoliatum and Microthlaspi erraticumSchenkel et al. 2018
EukaryotaFusarium Oxysporumroots of two species of the Brassicaceae family Microthlaspi perfoliatum and Microthlaspi erraticumSchenkel et al. 2018
EukaryotaFomes Fomentarius160-year-old beech forest,51°46´N 9°34´E,Solling,low mountain range,central GermanyHolighaus et al. 2014
ProkaryotaPseudomonas Sp.antifungal activity against Thielaviopsis ethacetica mycelial growthBrazilian Biorenewables National Laboratory – LNBR/CNPEM Microorganism Collection, Campinas, SP; isolatedfrom soil and roots of highly productive sugarcane-producing regions; BrazilFreitas et al. 2022
ProkaryotaSerratia Fonticolastimulate growth of Solanum tuberosumisolate from Irish potato soilsHeenan-Daly et al. 2021
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
ProkaryotaErwinia Amylovoraenhances Arabidopsis thaliana shoot and root growthbacterial collection of the LabParmagnani et al. 2023
EukaryotaMrakia Gelidainhibitory and promoting effects on the growth of different microorganismsisolate from Saxifraga cespitosa, Ny-Ålesund (Svalbard Archipelago, Arctic); CCTCC (China Center for Type Culture Collection, Wuhan, Hubei, China)Niu et al. 2022
EukaryotaTrichoderma VirideNAHung et al. 2013
ProkaryotaCalothrix Parietinan/aNAHoeckelmann et al. 2004
ProkaryotaCalothrix Sp.n/aNAHoeckelmann et al. 2004
ProkaryotaPlectonema Notatumn/aNAHoeckelmann et al. 2004
ProkaryotaPlectonema Sp.n/aNAHoeckelmann et al. 2004
ProkaryotaPhormidium Sp.n/aNAHoeckelmann et al. 2004
ProkaryotaTolypothrix Distortan/aNAHoeckelmann et al. 2004
ProkaryotaRivularia Sp.n/aNAHoeckelmann et al. 2004
ProkaryotaRivularia Sp./Calothrix Parietinan/aNAHoeckelmann et al. 2004
EukaryotaTuber Aestivumn/aAgricultural Centre of Castilla and León Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).Diaz et al. 2003
ProkaryotaClostridium Difficileoutbreak 2006 UKRees et al. 2016
ProkaryotaLactobacillus RhamnosusnaDomiati cheesePogačić et al. 2016
ProkaryotaLentilactobacillus BuchneriNANASquara et al. 2022
ProkaryotaLacticaseibacillus ParacaseiNANASquara et al. 2022
EukaryotaMetschnikowia PulcherrimaNANALjunggren et al. 2019
ProkaryotaLactobacillus PlantarumNANAZhang et al. 2022
Meyerozyma GuilliermondiiXiong et al. 2023
Debaryomyces HanseniiLi et al. 2023
Saccharomyces CerevisiaePeng et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaBurkholderia CepaciaMHBSIFT-MSno
ProkaryotaBurkholderia CepaciaBHISIFT-MSno
ProkaryotaBurkholderia CepaciaNBSIFT-MSno
ProkaryotaPseudomonas AeruginosaMHBSIFT-MSno
ProkaryotaPseudomonas AeruginosaNBSIFT-MSno
ProkaryotaPseudomonas AeruginosaBHISIFT-MSno
ProkaryotaStaphylococcus AureusMHBSIFT-MSno
ProkaryotaStaphylococcus AureusNBSIFT-MSno
ProkaryotaStaphylococcus AureusBHISIFT-MSno
ProkaryotaStenotrophomonas MaltophiliaBHISIFT-MSno
ProkaryotaStenotrophomonas MaltophiliaNBSIFT-MSno
ProkaryotaStenotrophomonas MaltophiliaMHBSIFT-MSno
EukaryotaPythium OligandrumV8 juice agarSPME/GC-MS/MSyes
EukaryotaFusarium AcuminatumMalt extractSPME, GC-MSyes
EukaryotaFusarium OxysporumMalt extractSPME, GC-MSyes
EukaryotaFomes FomentariusGC-MS (SIM)yes
ProkaryotaPseudomonas Sp.LB media, DYGS mediaHS-SPME/GC-MSno
ProkaryotaSerratia FonticolaMR-VP (Methyl Red-Vogos Proskeur) mediaSPME/GC-MSno
EukaryotaCandida AlbicansYGC mediaHS-SPME/GC-GC-ToFMSno
EukaryotaCandida GlabrataYGC mediaHS-SPME/GC-GC-ToFMSno
EukaryotaCandida TropicalisYGC mediaHS-SPME/GC-GC-ToFMSno
ProkaryotaErwinia AmylovoraSBSE/GC-MSno
EukaryotaMrakia Gelidaartificial nectar mediaGC-MSno
EukaryotaTrichoderma VirideMalt extract agar Headspace volatiles collected with colomn/TD-GC-MSyes
ProkaryotaCalothrix Parietinan/an/ano
ProkaryotaCalothrix Sp.n/an/ano
ProkaryotaPlectonema Notatumn/an/ano
ProkaryotaPlectonema Sp.n/an/ano
ProkaryotaPhormidium Sp.n/an/ano
ProkaryotaTolypothrix Distortan/an/ano
ProkaryotaRivularia Sp.n/an/ano
ProkaryotaRivularia Sp./Calothrix Parietinan/an/ano
EukaryotaTuber Aestivumn/aHeadspace solid-phase microextraction (HS-SPME) combined with GC-MSno
ProkaryotaClostridium Difficilebrain heart infusionGCxGC-TOF-MSyes
ProkaryotaLactobacillus Rhamnosuscurd-based broth mediumGC/MSyes
ProkaryotaLentilactobacillus Buchnerimaize silageHS-SPME coupled with GC-TOF MSno
ProkaryotaLacticaseibacillus Paracaseimaize silageHS-SPME coupled with GC-TOF MSno
EukaryotaMetschnikowia Pulcherrimaliquid YPD mediumGC-MSno
ProkaryotaLactobacillus Plantarumchickpea milkUHPLC/MSno
Meyerozyma GuilliermondiiYEPD, 10 g/L yeast extrac, 20 g/L peptone, 20 g dextroseGC-MS and GC-IMSno
Debaryomyces Hanseniimeat with coconut oilGC-MSno
Saccharomyces Cerevisiaesea buckthorn juiceHS-SPME-GC–MS/UHPLC–MSno