Results for:
PubChem ID: 1031

Propan-1-ol

Mass-Spectra

Compound Details

Synonymous names
Hydroxypropane
ethylcarbinol
propylalcohol
Ateromixol
Propanolen
Propionylol
Alcool propylique
BDERNNFJNOPAEC-UHFFFAOYSA-N
propanol
Propanole
Propanoli
Propionic alcohol
Propionyl alcohol
Propylol
Propylowy alkohol
Albacol
Alcool propilico
n-propylalcohol
n-Propylalkohol
Propylic alcohol
Ethyl carbinol
ethyl methanol
optal
osmosol extra
Propyl alcohol
Propylan-propyl alcohol
1-hydroxypropane
POL
n-propanol
5VQ
AC1L1AKQ
n-Propyl alcohol
n-Propyl alkohol
1 Propanol
1-propanol
1-PROPONOL
3-propanol
ACMC-1BIKF
Alcohol, propyl
Propanol-1
1-Propanol, Spectrophotometric Grade
Propyl alcohol, normal
1-Propyl alcohol
Propanoli [Italian]
1-Propanol, analytical standard
Alcool propilico [Italian]
Alcool propylique [French]
Propanole [German]
Propanolen [Dutch]
Propylowy alkohol [Polish]
1-Propanol, anhydrous
AC1Q2Y67
KSC356I6N
n-C3H7OH
Propan-1-ol
propane-1-ol
Propyl alcohol (natural)
CHEMBL14687
Propyl Alcohol (Fragrance Grade)
UN1274
BDBM36153
CTK2F6466
HMDB00820
HSDB 115
P0491
WLN: Q3
DB03175
n-Propanol or propyl alcohol, normal
NSC30300
RL04721
1-Propanol, HPLC Grade
96F264O9SV
bmse000446
C05979
CCRIS 3202
CCRIS 7209
LTBB002054
n-Propan-1-ol
n-Propyl alkohol [German]
Propanol, 1-
ZINC895969
1-Propanol, JIS special grade
DTXSID2021739
FEMA Number 2928
LP074007
LS-3067
OR034219
OR228553
OR287212
OR304913
OR336060
OR353578
Propyl Alcohol (Normal) Reagent Grade ACS
STL264225
UN 1274
1-Propanol, pharmaceutical secondary standard; traceable to USP
A837125
CHEBI:28831
DSSTox_CID_1739
PROPYL, 1-HYDROXY-
UNII-96F264O9SV
1-Propanol, >=99%
AN-41945
ANW-36012
Caswell No. 709A
DSSTox_GSID_21739
KB-66585
NSC 30300
NSC-30300
TRA0060291
DSSTox_RID_76299
LMFA05000101
MFCD00002941
PROPYL, 3-OXY-
AI3-16115
RTR-023458
TR-023458
1-Propanol, United States Pharmacopeia (USP) Reference Standard
AKOS000249219
EPA Pesticide Chemical Code 047502
I14-2607
J-505102
BRN 1098242
FEMA No. 2928
FT-0608280
FT-0627482
71-23-8
Z955123580
Tox21_302440
1-Propanol, >=99%, FG
1-Propanol, LR, >=99%
F0001-1829
PROPOXY (6CI,8CI,9CI)
1-Propanol, >=99.80%
CAS-71-23-8
ETHYL, 1-METHYL-2-OXY-
MCULE-6252105126
NCGC00255163-01
1-Propanol, anhydrous, 99.7%
EINECS 200-746-9
1-Propanol, natural, >=98%, FG
62309-51-7
1-Propanol, ACS reagent, >=99.5%
1-Propanol, AR, >=99.5%
1-Propanol, B&J Brand (product of Burdick & Jackson)
1-Propanol, for inorganic trace analysis, >=99.8%
1-Propanol, HPLC grade, >=99.5%
1-Propanol, UV HPLC spectroscopic, 99.0%
142583-61-7
Policosanol (from rice wax) (oryza sp.)
1-Propanol, 99% 500ml
1-Propanol, for HPLC, >=99.5%
1-Propanol, for HPLC, >=99.9%
2537-EP2269989A1
2537-EP2269993A1
2537-EP2269994A1
2537-EP2269995A1
2537-EP2270000A1
2537-EP2270012A1
2537-EP2270013A1
2537-EP2272516A2
2537-EP2272517A1
2537-EP2272832A1
2537-EP2272841A1
2537-EP2272843A1
2537-EP2272846A1
2537-EP2272849A1
2537-EP2274983A1
2537-EP2275413A1
2537-EP2275424A1
2537-EP2275469A1
2537-EP2277507A1
2537-EP2277865A1
2537-EP2277866A1
2537-EP2280000A1
2537-EP2280005A1
2537-EP2281817A1
2537-EP2281818A1
2537-EP2281821A1
2537-EP2284169A1
2537-EP2284174A1
2537-EP2286795A1
2537-EP2287154A1
2537-EP2287156A1
2537-EP2287161A1
2537-EP2287162A1
2537-EP2287940A1
2537-EP2289868A1
2537-EP2289884A1
2537-EP2289892A1
2537-EP2289965A1
2537-EP2292597A1
2537-EP2292606A1
2537-EP2292612A2
2537-EP2295053A1
2537-EP2298313A1
2537-EP2298731A1
2537-EP2298747A1
2537-EP2298767A1
2537-EP2298772A1
2537-EP2298773A1
2537-EP2298828A1
2537-EP2301983A1
2537-EP2305642A2
2537-EP2305647A1
2537-EP2305649A1
2537-EP2305658A1
2537-EP2305667A2
2537-EP2305670A1
2537-EP2305673A1
2537-EP2305681A1
2537-EP2305687A1
2537-EP2308839A1
2537-EP2308840A1
2537-EP2308849A1
2537-EP2308850A1
2537-EP2308857A1
2537-EP2308866A1
2537-EP2308874A1
2537-EP2308877A1
2537-EP2308926A1
2537-EP2309564A1
2537-EP2311801A1
2537-EP2311802A1
2537-EP2311803A1
2537-EP2311807A1
2537-EP2311808A1
2537-EP2311829A1
2537-EP2311832A1
2537-EP2311833A1
2537-EP2311834A1
2537-EP2311838A1
2537-EP2314558A1
2537-EP2314576A1
2537-EP2314579A1
2537-EP2314585A1
2537-EP2314591A1
2537-EP2371797A1
2537-EP2371798A1
2537-EP2371800A1
2537-EP2371811A2
2537-EP2371814A1
2537-EP2374780A1
2537-EP2374781A1
2537-EP2377510A1
MolPort-000-872-058
1-Propanol, SAJ first grade, >=99.0%
1-Propanol, >=99% (GC), purum
27313-EP2269986A1
27313-EP2269999A1
27313-EP2272817A1
27313-EP2275411A2
27313-EP2275414A1
27313-EP2280001A1
27313-EP2281563A1
27313-EP2281817A1
27313-EP2281821A1
27313-EP2287152A2
27313-EP2287155A1
27313-EP2287158A1
27313-EP2292592A1
27313-EP2295414A1
27313-EP2298753A1
27313-EP2298763A1
27313-EP2298766A1
27313-EP2298772A1
27313-EP2301919A1
27313-EP2305625A1
27313-EP2305642A2
27313-EP2305651A1
27313-EP2305662A1
27313-EP2305667A2
27313-EP2305676A1
27313-EP2305687A1
27313-EP2308838A1
27313-EP2308839A1
27313-EP2308854A1
27313-EP2308864A1
27313-EP2308866A1
27313-EP2308880A1
27313-EP2311805A1
27313-EP2311808A1
27313-EP2311829A1
27313-EP2311830A1
27313-EP2314575A1
27313-EP2314581A1
27313-EP2371797A1
27313-EP2371798A1
27313-EP2374783A1
27313-EP2377841A1
27313-EP2380568A1
28286-EP2272516A2
28286-EP2275423A1
28286-EP2277858A1
28286-EP2277875A2
28286-EP2280001A1
28286-EP2289509A2
28286-EP2289881A1
28286-EP2289892A1
28286-EP2292222A1
28286-EP2292613A1
28286-EP2292616A1
28286-EP2295424A1
28286-EP2295426A1
28286-EP2295427A1
28286-EP2295437A1
28286-EP2298749A1
28286-EP2298755A1
28286-EP2298760A1
28286-EP2298768A1
28286-EP2298775A1
28286-EP2302003A1
28286-EP2305033A1
28286-EP2305662A1
28286-EP2305825A1
28286-EP2308479A2
28286-EP2308828A2
28286-EP2308880A1
28286-EP2311801A1
28286-EP2311802A1
28286-EP2311803A1
28286-EP2311815A1
28286-EP2311821A1
28286-EP2311830A1
28286-EP2314577A1
28286-EP2314581A1
28286-EP2371814A1
28286-EP2380873A1
33630-EP2298750A1
33630-EP2311820A1
136983-EP2275411A2
136983-EP2292606A1
1-Propanol, p.a., 99.5%
1-Propanol, purum, >=99.0% (GC)
n-Propanol or propyl alcohol, normal [UN1274] [Flammable liquid]
4-01-00-01413 (Beilstein Handbook Reference)
n-Propanol or propyl alcohol, normal [UN1274] [Flammable liquid]
InChI=1/C3H8O/c1-2-3-4/h4H,2-3H2,1H
1-Propanol, puriss. p.a., Reag. Ph. Eur., >=99.5% (GC)
Microorganism:

Yes

IUPAC namepropan-1-ol
SMILESCCCO
InchiInChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3
FormulaCH3CH2CH2OH
PubChem ID1031
Molweight60.096
LogP0.36
Atoms12
Bonds11
H-bond Acceptor1
H-bond Donor1
Chemical ClassificationAlcohols

mVOC Specific Details

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

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaLactobacillus Sakei CIRM467TnaSake starterPogačić et al., 2016
BacteriaEnterobacter Cloacaen/aArnold and Senter, 1998
BacteriaEscherichia Colin/aArnold and Senter, 1998
BacteriaKlebsiella Pneumoniaen/aArnold and Senter, 1998
BacteriaLactobacillus Sakei CIRM467Tcan be used to modify or intensify the flavour of industrial cheeses or fermented milks or to preserve the peculiar flavour of traditional dairy productsPogačić et al., 2015
BacteriaSalmonella Enteritidisn/aArnold and Senter, 1998
BacteriaStaphylococcus Aureusn/aJia et al., 2010
Fungi Ascocoryne SpGriffin et al. 2010
FungiAspergillus Flavus NRRL 18543n/aBeck et al., 2012
FungiAspergillus Flavus NRRL 25347n/aBeck et al., 2012
FungiAspergillus Niger NRRL 326n/aBeck et al., 2012
FungiAspergillus Parasiticus NRRL 5862n/aBeck et al., 2012
FungiCandida Shehataecacti, fruits, insects, natural habitatsNout and Bartelt 1998
Fungi Fusarium CulmorumSavel’eva et al 2014
FungiPenicillium Aurantiogriseumn/aBoerjesson et al., 1990
FungiPenicillium Glabrum NRRL 766n/aBeck et al., 2012
FungiRhizopus Stolonifer NRRL 54667n/aBeck et al., 2012
FungiSaccharomyces Cerevisiaegrape vineBecher et al. 2012
FungiTrichodema Pseudokoningiin/aWheatley et al., 1997
FungiTrichodema Viriden/aWheatley et al., 1997
FungiTuber Aestivumn/aFortywoodland of the Basilicata regionMauriello et al., 2004
FungiTuber Borchiin/aSplivallo et al., 2007
FungiTuber Indicumn/aSplivallo et al., 2007
FungiTuber Melanosporumn/aSplivallo et al., 2007
FungiTuber Mesentericumn/aFortywoodland of the Basilicata regionMauriello et al., 2004
FungiTuber MiesentericumNoneNone March et al., 2006
FungiSaccharomyces CerevisiaeInhibited growth and sporulation of Aspergillus niger.Stotzky and Schenk, 1976
Fungi Penicillium CamembertiLarsen 2003
Fungi Penicillium CaseifulvumLarsen 2003
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaLactobacillus Sakei CIRM467Tcurd-based broth mediumGC/MSYes
BacteriaEnterobacter CloacaeHS-SPME/GC-MS
BacteriaEscherichia ColiTS brothHS-SPME/GC-MS
BacteriaKlebsiella PneumoniaeTS brothHS-SPME/GC-MS
BacteriaLactobacillus Sakei CIRM467TMan Rogosa Sharpe broth (MRS)Tenaxâ„¢-trap/GC-MS
BacteriaSalmonella EnteritidisHS-SPME/GC-MS
BacteriaStaphylococcus AureusMueller Hinton brothHS-SPME/GC-MS
Fungi Ascocoryne Spno
FungiAspergillus Flavus NRRL 18543potato dextrose agar and Polyunsaturated Fatty AcidsSPME/ GC-MS
FungiAspergillus Flavus NRRL 25347potato dextrose agar and Polyunsaturated Fatty AcidsSPME/ GC-MS
FungiAspergillus Niger NRRL 326potato dextrose agar and Polyunsaturated Fatty AcidsSPME/ GC-MS
FungiAspergillus Parasiticus NRRL 5862potato dextrose agar and Polyunsaturated Fatty AcidsSPME/ GC-MS
FungiCandida Shehataeyeast malt agarSPME, GC-MSyes
Fungi Fusarium Culmorumno
FungiPenicillium Aurantiogriseumn/an/a
FungiPenicillium Glabrum NRRL 766potato dextrose agar and Polyunsaturated Fatty AcidsSPME/ GC-MS
FungiRhizopus Stolonifer NRRL 54667potato dextrose agar and Polyunsaturated Fatty AcidsSPME/ GC-MS
FungiSaccharomyces Cerevisiaesynthetic minimal mediumGC-MS, EIyes
FungiTrichodema PseudokoningiiLow mediumGC/MS
FungiTrichodema VirideLow mediumGC/MS
FungiTuber Aestivumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
FungiTuber Borchiin/an/a
FungiTuber Indicumn/an/a
FungiTuber Melanosporumn/an/a
FungiTuber Mesentericumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
FungiTuber MiesentericumNonePressure balanced head-space sampling and GC/TOF-MSNo
FungiSaccharomyces Cerevisiaen/an/a
Fungi Penicillium Camembertino
Fungi Penicillium Caseifulvumno