Results for:
PubChem ID: 1031

Propan-1-ol

Mass-Spectra

Compound Details

Synonymous names
1-propanol
propanol
Propan-1-ol
Propyl alcohol
n-propanol
71-23-8
n-Propyl alcohol
ethylcarbinol
Policosanol
optal
1-hydroxypropane
osmosol extra
Propylic alcohol
Propanol-1
1-Propyl alcohol
n-Propan-1-ol
Propanole
Propanolen
Alcohol, propyl
Propanoli
Ethyl carbinol
Alcool propilico
Alcool propylique
Propylowy alkohol
n-Propyl alkohol
142583-61-7
Albacol
propane-1-ol
1-PROPONOL
propylalcohol
Propyl alcohol, normal
Caswell No. 709A
FEMA No. 2928
FEMA Number 2928
Propyl alcohol (natural)
Propyl alcohol, n-
NSC 30300
CCRIS 3202
HSDB 115
n-Propylalkohol
EINECS 200-746-9
EPA Pesticide Chemical Code 047502
n-PrOH
UNII-96F264O9SV
BRN 1098242
DTXSID2021739
CHEBI:28831
AI3-16115
Propylan-propyl alcohol
96F264O9SV
MFCD00002941
NSC-30300
62309-51-7
UN 1274
Propyl-1,1-d2 alcohol
DTXCID001739
Propyl-3,3,3-d3 alcohol
PROPYL-2-D1 ALCOHOL
PROPYL ALCOHOL (PROPANOL)
EC 200-746-9
4-01-00-01413 (Beilstein Handbook Reference)
1-Propanol, anhydrous
1-Propanol-D1
Propanol; Propan-1-ol
POL
Propanole [German]
Propanolen [Dutch]
Propanol, 1-
Propanoli [Italian]
PROPANOL (EP MONOGRAPH)
PROPANOL [EP MONOGRAPH]
PROPYL ALCOHOL (MART.)
PROPYL ALCOHOL [MART.]
1 Propanol
Alcool propilico [Italian]
Alcool propylique [French]
n-Propyl alkohol [German]
PROPANOL-1,1,2,2-D4
Propylowy alkohol [Polish]
UN1274
Hydroxypropane
ethyl methanol
n-propylalcohol
normal propanol
3-propanol
ASTM Method D7059 Calibration Mixture 1 500-1200 microg/mL in Toluene
ASTM Method D7059 Calibration Mixture 2 500-600 microg/mL in Toluene
ASTM Method D7059 Calibration Mixture 3 300-500 microg/mL in Toluene
ASTM Method D7059 Calibration Mixture 4 150-500 microg/mL in Toluene
ASTM Method D7059 Calibration Mixture 5 100-500 microg/mL in Toluene
ASTM Method D7059 Calibration Mixture 6 25-500 microg/mL in Toluene
ASTM Method D7059 Calibration Mixture 7 5-500 microg/mL in Toluene
nPrOH
HOPr
PrOH
normal propyl alcohol
Caswell No 709A
N-Propanol ACS grade
PROPYL-1,1,3,3,3-D5 ALCOHOL
n-C3H7OH
1-Propanol, HPLC Grade
bmse000446
N-PROPANOL [HSDB]
PROPANOL [WHO-DD]
1-Propanol, >=99%
PROPYL ALCOHOL [MI]
Pesticide Code: 047502
PROPYL ALCOHOL [FCC]
WLN: Q3
CHEMBL14687
PROPYL ALCOHOL [FHFI]
PROPYL ALCOHOL [INCI]
1-PROPANOL [USP-RS]
1-Propanol, analytical standard
1-Propanol, JIS special grade
1-Propanol, >=99%, FG
1-Propanol, LR, >=99%
1-Propanol, >=99.80%
BDBM36153
DTXSID70167831
1-Propanol, anhydrous, 99.7%
1-Propanol, p.a., 99.5%
1-Propanol, AR, >=99.5%
AMY11110
NSC30300
Tox21_302440
1-Propanol, Spectrophotometric Grade
LMFA05000101
n-Propanol or propyl alcohol, normal
STL264225
1-Propanol, natural, >=98%, FG
Hydroxypropyl cellulose-SL (HPC-SL)
1-Propanol, >=99% (GC), purum
AKOS000249219
1-Propanol, for HPLC, >=99.5%
1-Propanol, for HPLC, >=99.9%
DB03175
MCULE-6252105126
1-Propanol, ACS reagent, >=99.5%
1-Propanol, HPLC grade, >=99.5%
CAS-71-23-8
1-Propanol, purum, >=99.0% (GC)
NCGC00255163-01
1-Propanol 100 microg/mL in Acetonitrile
1-Propanol, SAJ first grade, >=99.0%
NS00001811
P0491
1-Propanol, UV HPLC spectroscopic, 99.0%
EN300-19337
C05979
Q14985
A837125
InChI=1/C3H8O/c1-2-3-4/h4H,2-3H2,1H
J-505102
1-Propanol, for inorganic trace analysis, >=99.8%
F0001-1829
1-Propanol, puriss. p.a., Reag. Ph. Eur., >=99.5% (GC)
1-Propanol, United States Pharmacopeia (USP) Reference Standard
n-Propanol or propyl alcohol, normal [UN1274] [Flammable liquid]
1-Propanol, Pharmaceutical Secondary Standard; Certified Reference Material
5VQ
Microorganism:

Yes

IUPAC namepropan-1-ol
SMILESCCCO
InchiInChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3
FormulaC3H8O
PubChem ID1031
Molweight60.1
LogP0.3
Atoms4
Bonds1
H-bond Acceptor1
H-bond Donor1
Chemical Classificationalcohols
CHEBI-ID28831
Supernatural-IDSN0022376

mVOC Specific Details

Boiling Point
DegreeReference
97.2 °C peer reviewed
Volatilization
The Henry's Law constant for n-propanol is 7.41X10-6 atm-cu m/mole(1). This Henry's Law constant indicates that n-propanol 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 62 hours(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 31 days(SRC). n-Propanol's Henry's Law constant(1) indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of n-propanol from dry soil surfaces may exist(SRC) based upon a vapor pressure of 21.0 mm Hg(3).
Literature: (1) Snider JR, Dawson GA; J Geophys Res, D: Atmos 90: 3797-805 (1985) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Riddick JA et al; Organic Solvents: Physical Properties and Methods of Purification. Techniques of Chemistry. 4th Ed. NY, NY: Wiley-Interscience p. 194 (1986)
Soil Adsorption
The Koc of n-propanol is estimated as 33(SRC), using a measured log Kow of 0.25(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that n-propanol is expected to have very high mobility in soil(SRC).
Literature: (1) Hansch C et al; Exploring QSAR. Hydrophobic, Electronic, And Steric Constants. ACS Profess Ref Book. Washington, DC: Amer Chem Soc p. 7 (1995) (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)
Vapor Pressure
PressureReference
21.0 mm Hg @ 25 deg CRiddick, J.A., W.B. Bunger, Sakano T.K. Techniques of Chemistry 4th ed., Volume II. Organic Solvents. New York, NY: John Wiley and Sons., 1985., p. 194
MS-Links
1D-NMR-Links
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaBurkholderia CepaciaNANADryahina et al. 2016
ProkaryotaEscherichia ColiNANAAllardyce et al. 2006
ProkaryotaPseudomonas AeruginosaNANADryahina et al. 2016
ProkaryotaStaphylococcus AureusNANADryahina et al. 2016
ProkaryotaStenotrophomonas MaltophiliaNANADryahina et al. 2016
ProkaryotaEscherichia ColiNANAFitzgerald et al. 2021
ProkaryotaEscherichia ColiNANAHewett et al. 2020
ProkaryotaStaphylococcus AureusNANAJia et al. 2010
ProkaryotaEscherichia ColiNANABoots et al. 2014
ProkaryotaKlebsiella PneumoniaeNANABoots et al. 2014
ProkaryotaVibrio ParahaemolyticusChina Center of Industrial Culture collectionWang et al. 2018
EukaryotaFusarium OxysporumonionWang et al. 2018
EukaryotaFusarium ProliferatumonionWang et al. 2018
EukaryotaAspergillus FlavusITEM collection of CNR-ISPA (Research National Council of Italy - Institute of Sciences of Food Production) in Bari, ItalyJosselin 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
ProkaryotaBacillus AtrophaeusLeibnitz Institute DSMZ-German Collection of Microorganisms and Cell Cultures GmbHMülner et al. 2020
ProkaryotaBacillus PumilusLeibnitz Institute DSMZ-German Collection of Microorganisms and Cell Cultures GmbHMülner et al. 2020
ProkaryotaEscherichia ColiSwedish Institute for Communicable Disease Control (SMI), Stockholm, SwedenSousa et al. 2023
EukaryotaMalassezia GlobosaFungal Biodiversity Center (WesterdijkInstitute, Utrecht, The Netherlands)Rios-Navarro et al. 2023
EukaryotaMalassezia RestrictaFungal Biodiversity Center (WesterdijkInstitute, Utrecht, The Netherlands)Rios-Navarro et al. 2023
ProkaryotaLactobacillus SakeinaSake starterPogačić et al. 2016
EukaryotaPenicillium Aurantiogriseumn/aNABörjesson et al. 1990
EukaryotaTuber Borchiin/aNASplivallo et al. 2007
EukaryotaTuber Melanosporumn/aNASplivallo et al. 2007
EukaryotaTuber Indicumn/aNASplivallo et al. 2007
EukaryotaTuber Mesentericumn/aFortywoodland of the Basilicata regionMauriello et al. 2004
EukaryotaTuber Aestivumn/aFortywoodland of the Basilicata regionMauriello et al. 2004
EukaryotaAspergillus Flavusn/aNABeck et al. 2012
EukaryotaAspergillus Parasiticusn/aNABeck et al. 2012
EukaryotaAspergillus Nigern/aNABeck et al. 2012
EukaryotaPenicillium Glabrumn/aNABeck et al. 2012
EukaryotaRhizopus Stolonifern/aNABeck et al. 2012
ProkaryotaEscherichia Colin/aNAArnold and Senter 1998
ProkaryotaKlebsiella Pneumoniaen/aNAArnold and Senter 1998
ProkaryotaSalmonella Enteritidisn/aNAArnold and Senter 1998
ProkaryotaEnterobacter Cloacaen/aNAArnold and Senter 1998
EukaryotaTrichoderma Viriden/aNAWheatley et al. 1997
EukaryotaTrichoderma Pseudokoningiin/aNAWheatley et al. 1997
EukaryotaCandida Shehataecacti, fruits, insects, natural habitatsNout and Bartelt 1998
EukaryotaSaccharomyces Cerevisiaegrape vineBecher et al. 2012
EukaryotaAscocoryne Sp.NAGriffin et al. 2010
EukaryotaFusarium CulmorumNASavel’eva et al. 2014
ProkaryotaLactobacillus Sakeican be used to modify or intensify the flavour of industrial cheeses or fermented milks or to preserve the peculiar flavour of traditional dairy productsNAPogačić et al. 2016
EukaryotaSaccharomyces CerevisiaeInhibited growth and sporulation of Aspergillus niger.NAStotzky and Schenck 1976
EukaryotaPenicillium CamembertiNALarsen 1998
EukaryotaPenicillium CaseifulvumNALarsen 1998
EukaryotaTuber MesentericumNoneNoneMarch et al. 2006
EukaryotaZygosaccharomyces RouxiiNANAPei et al. 2022
EukaryotaSaccharomyces CerevisiaeNANAGe et al. 2021
EukaryotaWickerhamomyces AnomalusNANAShi et al. 2022
EukaryotaSaccharomyces EubayanusNANAMardones et al. 2020
EukaryotaMeyerozyma GuilliermondiiNANAZhao et al. 2022
EukaryotaSaccharomyces CerevisiaeNANAZhao et al. 2022
EukaryotaSaccharomycopsis ViniNANAZhao et al. 2022
EukaryotaSaturnispora DiversaNANAZhao et al. 2022
EukaryotaWickerhamomyces AnomalusNANAZhao et al. 2022
Meyerozyma GuilliermondiiXiong et al. 2023
Saccharomyces CerevisiaeQin et al. 2024
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaBurkholderia CepaciaNBSIFT-MSno
ProkaryotaBurkholderia CepaciaBHISIFT-MSno
ProkaryotaBurkholderia CepaciaMHBSIFT-MSno
ProkaryotaEscherichia ColiBacT/ALERT FASIFT-MSno
ProkaryotaPseudomonas AeruginosaBHISIFT-MSno
ProkaryotaPseudomonas AeruginosaNBSIFT-MSno
ProkaryotaPseudomonas AeruginosaMHBSIFT-MSno
ProkaryotaStaphylococcus AureusMHBSIFT-MSno
ProkaryotaStaphylococcus AureusBHISIFT-MSno
ProkaryotaStaphylococcus AureusNBSIFT-MSno
ProkaryotaStenotrophomonas MaltophiliaNBSIFT-MSno
ProkaryotaStenotrophomonas MaltophiliaMHBSIFT-MSno
ProkaryotaStenotrophomonas MaltophiliaBHISIFT-MSno
ProkaryotaEscherichia ColiTSBSPME/GC-MSno
ProkaryotaEscherichia ColiLBSPME/GC-MSno
ProkaryotaStaphylococcus AureusMHBSPME/GC-MSno
ProkaryotaEscherichia ColiMueller–HintonTD/GC-MSno
ProkaryotaKlebsiella PneumoniaeMueller–HintonTD/GC-MSno
ProkaryotaVibrio ParahaemolyticusSodium chloride brothSPME, GC-MSno
EukaryotaFusarium OxysporumLiquid onion extract medium (LOM)SPME, GC-MSyes
EukaryotaFusarium ProliferatumLiquid onion extract medium (LOM)SPME, GC-MSyes
EukaryotaAspergillus FlavusSNA mediaSPME/GC-MSno
EukaryotaCandida AlbicansYGC mediaHS-SPME/GC-GC-ToFMSno
EukaryotaCandida GlabrataYGC mediaHS-SPME/GC-GC-ToFMSno
EukaryotaCandida TropicalisYGC mediaHS-SPME/GC-GC-ToFMSno
ProkaryotaBacillus Atrophaeusnutrient agarHS-SPME/GC-MSno
ProkaryotaBacillus Pumilusnutrient agarHS-SPME/GC-MSno
ProkaryotaEscherichia ColiLB mediaHS-SPME/GC-MSno
EukaryotaMalassezia Globosamodified Dixon agarHS-SPME/GC-MSno
EukaryotaMalassezia Restrictamodified Dixon agarHS-SPME/GC-MSno
ProkaryotaLactobacillus Sakeicurd-based broth mediumGC/MSyes
EukaryotaPenicillium Aurantiogriseumn/an/ano
EukaryotaTuber Borchiin/an/ano
EukaryotaTuber Melanosporumn/an/ano
EukaryotaTuber Indicumn/an/ano
EukaryotaTuber Mesentericumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)no
EukaryotaTuber Aestivumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)no
EukaryotaAspergillus Flavuspotato dextrose agar and Polyunsaturated Fatty AcidsSPME/ GC-MSno
EukaryotaAspergillus Parasiticuspotato dextrose agar and Polyunsaturated Fatty AcidsSPME/ GC-MSno
EukaryotaAspergillus Nigerpotato dextrose agar and Polyunsaturated Fatty AcidsSPME/ GC-MSno
EukaryotaPenicillium Glabrumpotato dextrose agar and Polyunsaturated Fatty AcidsSPME/ GC-MSno
EukaryotaRhizopus Stoloniferpotato dextrose agar and Polyunsaturated Fatty AcidsSPME/ GC-MSno
ProkaryotaEscherichia ColiTS brothHS-SPME/GC-MS no
ProkaryotaKlebsiella PneumoniaeTS brothHS-SPME/GC-MS no
ProkaryotaSalmonella EnteritidisHS-SPME/GC-MS no
ProkaryotaEnterobacter CloacaeHS-SPME/GC-MS no
EukaryotaTrichoderma VirideLow mediumGC/MSno
EukaryotaTrichoderma PseudokoningiiLow mediumGC/MSno
EukaryotaCandida Shehataeyeast malt agarSPME, GC-MSyes
EukaryotaSaccharomyces Cerevisiaesynthetic minimal mediumGC-MS, EIyes
EukaryotaAscocoryne Sp.no
EukaryotaFusarium Culmorumno
ProkaryotaLactobacillus SakeiMan Rogosa Sharpe broth (MRS)Tenax-trap/GC-MSno
EukaryotaSaccharomyces Cerevisiaen/an/ano
EukaryotaPenicillium Camembertino
EukaryotaPenicillium Caseifulvumno
EukaryotaTuber MesentericumNonePressure balanced head-space sampling and GC/TOF-MSno
EukaryotaZygosaccharomyces RouxiiYPD mediumGC-MSno
EukaryotaSaccharomyces Cerevisiaegrape juiceLC-15C HPLCno
EukaryotaWickerhamomyces Anomalusmedium consisted of glucose (20 g/l), peptone (5 g/l), agar (20 g/l) and amoxicillin (1 g/l)SPME with GC-MSno
EukaryotaWickerhamomyces Anomalussolid-state fermentation starter culture DaquSPME coupled with GC-MSno
EukaryotaSaccharomyces Eubayanusbeer wortHS‐GC‐FIDno
EukaryotaMeyerozyma Guilliermondiisynthetic grape juiceHS-SPMEno
EukaryotaSaccharomyces Cerevisiaesynthetic grape juiceHS-SPMEno
EukaryotaSaccharomycopsis Vinisynthetic grape juiceHS-SPMEno
EukaryotaSaturnispora Diversasynthetic grape juiceHS-SPMEno
EukaryotaWickerhamomyces Anomalussynthetic grape juiceHS-SPMEno
Meyerozyma GuilliermondiiYEPD, 10 g/L yeast extrac, 20 g/L peptone, 20 g dextroseGC-MS and GC-IMSno
Saccharomyces Cerevisiaefermentation of mulberry wineHS-SPME-GC-MSno