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Results for:
PubChem ID: 11527
Octan-3-ol
Mass-Spectra
Compound Details
Synonymous names
3-OCTANOL
Octan-3-ol
589-98-0
1-Ethylhexanol
Amyl ethyl carbinol
Ethyl-n-amylcarbinol
Ethylamylcarbinol
Octanol-3
Ethyl amyl carbinol
Amylethylcarbinol
D-n-Octanol
20296-29-1
3-Octyl Alcohol
dl-3-Octanol
n-Octan-3-ol
(S)-3-Octanol
FEMA No. 3581
Ethylhexyl alcohol
Ethyl pentyl carbinol
73DZ0U3U1E
CHEBI:80945
29063-28-3
3-Octanol (natural)
(3S)-3-octanol
(1)-Octan-3-ol
EINECS 209-667-4
EINECS 243-713-4
EINECS 249-405-6
BRN 1697461
UNII-73DZ0U3U1E
AI3-37213
(+/-)-3-OCTANOL
1-ethyl-1-hexanol
octan-3(R,S)-ol
3-Octanol, 97%
3-Octanol, 99%
3-OCTANOL [FCC]
3-OCTANOL [FHFI]
OCTEN-3-OL-
4-01-00-01756 (Beilstein Handbook Reference)
SCHEMBL112339
3-Octanol, analytical standard
CHEMBL487998
DTXSID10862252
3OL
AMY12157
3-OCTANOL, (+/-)-
LMFA05000568
MFCD00004590
3-Octanol, >=97%, FCC, FG
AKOS009156959
HY-W099689
MCULE-6682377557
3-Octanol, natural, >=97%, FCC, FG
CS-0152331
NS00013086
O0121
n-Amyl ethyl carbinol Ethyl n-pentyl carbinol
C17144
D78240
EN300-7230130
A814407
A832101
Q27154917
Microorganism:
Yes
IUPAC name
octan-3-ol
SMILES
CCCCCC(CC)O
Inchi
InChI=1S/C8H18O/c1-3-5-6-7-8(9)4-2/h8-9H,3-7H2,1-2H3
Formula
C
8
H
1
8
O
PubChem ID
11527
Molweight
130.23
LogP
2.8
Atoms
9
Bonds
5
H-bond Acceptor
1
H-bond Donor
1
Chemical Classification
alcohols
CHEBI-ID
80945
Supernatural-ID
SN0249711
mVOC Specific Details
Boiling Point
Degree
Reference
173 median
MS-Links
MS-MS Spectrum 9036
MS-MS Spectrum 9037
MS-MS Spectrum 15708
MS-MS Spectrum 15707
MS-MS Spectrum 15709
MS-MS Spectrum 9035
Massbank-Links
Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP006857
Species emitting the compound
Kingdom
Species
Biological Function
Origin/Habitat
Reference
Prokaryota
Mycobacterium Bovis
NA
NA
Küntzel et al. 2018
Eukaryota
Aspergillus Niger
NA
NA
Costa et al. 2016
Eukaryota
Candida Albicans
NA
NA
Costa et al. 2016
Eukaryota
Penicillium Chrysogenum
NA
NA
Costa et al. 2016
Eukaryota
Aspergillus Versicolor
wild strains
Schleibinger et al. 2005
Eukaryota
Chaetomium Globosum
wild strains
Schleibinger et al. 2005
Eukaryota
Eurotium Amstelodami
wild strains
Schleibinger et al. 2005
Eukaryota
Penicillium Brevicompactum
wild strains
Schleibinger et al. 2005
Eukaryota
Fomes Fomentarius
160-year-old beech forest,51°46´N 9°34´E,Solling,low mountain range,central Germany
Holighaus et al. 2014
Eukaryota
Fusarium Verticillioides
NA
Usseglio et al. 2017
Eukaryota
Malassezia Globosa
Fungal Biodiversity Center (WesterdijkInstitute, Utrecht, The Netherlands)
Rios-Navarro et al. 2023
Eukaryota
Penicillium Corymbiferum
NA
Pierce et al. 1991
Eukaryota
Scopulariopsis Brevicaulis
NA
Pierce et al. 1991
Eukaryota
Fusarium Sp.
NA
Pierce et al. 1991
Eukaryota
Aspergillus Flavus
n/a
NA
Stotzky and Schenck 1976
Eukaryota
Tuber Melanosporum
n/a
NA
Splivallo et al. 2007
Eukaryota
Tuber Excavatum
n/a
Fortywoodland of the Basilicata region
Mauriello et al. 2004
Eukaryota
Tuber Aestivum
n/a
Agricultural Centre of Castilla and León Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).
Diaz et al. 2003
Eukaryota
Tuber Uncinatum
n/a
France, Italy, Switzerland, the UK, Austria, Romania, and Hungary
Splivallo et al. 2012
Eukaryota
Tuber Borchii
Inhibit the development of Arabidopsis thaliana and modify its oxidative metabolism
NA
Splivallo et al. 2007
Eukaryota
Penicillium Paneum
n/a
NA
Chitarra et al. 2004
Eukaryota
Penicillium Chrysogenum
n/a
NA
Meruva et al. 2004
Eukaryota
Aspergillus Flavus
n/a
NA
Beck et al. 2012
Eukaryota
Aspergillus Parasiticus
n/a
NA
Beck et al. 2012
Eukaryota
Aspergillus Niger
n/a
NA
Beck et al. 2012
Eukaryota
Penicillium Glabrum
n/a
NA
Beck et al. 2012
Eukaryota
Rhizopus Stolonifer
n/a
NA
Beck et al. 2012
Eukaryota
Aspergillus Ornatus
n/a
NA
Meruva et al. 2004
Eukaryota
Trichoderma Atroviride
n/a
NA
Stoppacher et al. 2010
Eukaryota
Trichoderma Virens
NA
Crutcher et al. 2013
Eukaryota
Trichoderma Atroviride
NA
Crutcher et al. 2013
Eukaryota
Trichoderma Reesei
NA
Crutcher et al. 2013
Eukaryota
Trametes Versicolor
NA
Drilling and Dettner 2009
Eukaryota
Aspergillus Ustus
NA
Polizzi et al. 2012
Eukaryota
Aspergillus Versicolor
na
damp indoor environments, food products
Sunesson et al. 1995
Eukaryota
Piptoporus Betulinus
na
Sachsenwald near Hamburg
Rösecke et al. 2000
Eukaryota
Fomitopsis Pinicola
na
Germany
Rösecke et al. 2000
Eukaryota
Pleurotus Eryngii
na
na
Usami et al. 2014
Eukaryota
Aspergillus Sydowii
na
na
Steiner et al. 2007
Eukaryota
Aspergillus Versicolor
na
na
Steiner et al. 2007
Eukaryota
Pleurotus Sajor-caju
na
na
Çağlarırmak et al. 2007
Eukaryota
Penicillium Chrysogenum
None
None
Meruva et al. 2004
Prokaryota
Lentilactobacillus Buchneri
NA
NA
Squara et al. 2022
Prokaryota
Lacticaseibacillus Paracasei
NA
NA
Squara et al. 2022
Method
Kingdom
Species
Growth Medium
Applied Method
Verification
Prokaryota
Mycobacterium Bovis
HEYM
NTD/GC-MS
no
Eukaryota
Aspergillus Niger
Yeast Glucose Chloramphenicol
SPME/GCxGC-MS
no
Eukaryota
Candida Albicans
Yeast Glucose Chloramphenicol
SPME/GCxGC-MS
no
Eukaryota
Penicillium Chrysogenum
Yeast Glucose Chloramphenicol
SPME/GCxGC-MS
no
Eukaryota
Aspergillus Versicolor
ingrain (woodchip)
SIM/GCMS / Tenax
no
Eukaryota
Chaetomium Globosum
ingrain (woodchip)
SIM/GCMS / Tenax
no
Eukaryota
Eurotium Amstelodami
ingrain (woodchip)
SIM/GCMS / Tenax
no
Eukaryota
Penicillium Brevicompactum
ingrain (woodchip)
SIM/GCMS / Tenax
no
Eukaryota
Fomes Fomentarius
GC-MS (SIM)
yes
Eukaryota
Fusarium Verticillioides
Czapek-dox agar
SPME, GC-MS
yes
Eukaryota
Malassezia Globosa
modified Dixon agar
HS-SPME/GC-MS
no
Eukaryota
Penicillium Corymbiferum
GC-FID
yes
Eukaryota
Scopulariopsis Brevicaulis
GC-FID
yes
Eukaryota
Fusarium Sp.
GC-FID
yes
Eukaryota
Aspergillus Flavus
n/a
n/a
no
Eukaryota
Tuber Melanosporum
n/a
n/a
no
Eukaryota
Tuber Excavatum
n/a
microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
no
Eukaryota
Tuber Aestivum
n/a
Headspace solid-phase microextraction (HS-SPME) combined with GC-MS
no
Eukaryota
Tuber Uncinatum
n/a
SPME-GC-MS
no
Eukaryota
Tuber Borchii
n/a
n/a
no
Eukaryota
Penicillium Paneum
Malt extract medium
Headspace analysis using a Fisons Instruments autosampler HS 800 (Interscience, Breda, The Netherlands) GC/MS.
no
Eukaryota
Penicillium Chrysogenum
Potato dextrose agar
Closedloop stripping analysis and GC/TOF-MS.
no
Eukaryota
Aspergillus Flavus
potato dextrose agar and Polyunsaturated Fatty Acids
SPME/ GC-MS
no
Eukaryota
Aspergillus Parasiticus
potato dextrose agar and Polyunsaturated Fatty Acids
SPME/ GC-MS
no
Eukaryota
Aspergillus Niger
potato dextrose agar and Polyunsaturated Fatty Acids
SPME/ GC-MS
no
Eukaryota
Penicillium Glabrum
potato dextrose agar and Polyunsaturated Fatty Acids
SPME/ GC-MS
no
Eukaryota
Rhizopus Stolonifer
potato dextrose agar and Polyunsaturated Fatty Acids
SPME/ GC-MS
no
Eukaryota
Aspergillus Ornatus
Potato dextrose agar
Closedloop stripping analysis and GC/TOF-MS.
no
Eukaryota
Trichoderma Atroviride
Potato dextrose agar
HS-SPME/GC-MS
no
Eukaryota
Trichoderma Virens
Potato dextrose agar
HS-SPME/GC-MS
no
Eukaryota
Trichoderma Atroviride
Potato dextrose agar
HS-SPME/GC-MS
no
Eukaryota
Trichoderma Reesei
Potato dextrose agar
HS-SPME/GC-MS
no
Eukaryota
Trametes Versicolor
no
Eukaryota
Aspergillus Ustus
malt extract agar (MEA), wallpaper, plasterboard
SPME/GC-MS
no
Eukaryota
Aspergillus Versicolor
DG18
GC/MS
no
Eukaryota
Piptoporus Betulinus
na
GC/MS
no
Eukaryota
Fomitopsis Pinicola
na
GC/MS
no
Eukaryota
Pleurotus Eryngii
na
GC/MS, GC-O, AEDA
no
Eukaryota
Aspergillus Sydowii
na
GC/MS
no
Eukaryota
Aspergillus Versicolor
na
GC/MS
no
Eukaryota
Pleurotus Sajor-caju
na
GC/MS
no
Eukaryota
Penicillium Chrysogenum
Potato dextrose agar
Closedloop stripping analysis and GC/TOF-MS.
yes
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