Results for:
PubChem ID: 8914

Nonan-1-ol

Mass-Spectra

Compound Details

Synonymous names
Pelargonalkohol
Nonylalkohol
ZWRUINPWMLAQRD-UHFFFAOYSA-N
Pelargonic alcohol
Nonalol
Nonanol
Octyl carbinol
NONYL ALCOHOL
1-Hydroxynonane
n-Nonanol
AC1L1RXY
Nonyl alcohol, Pelargonic alcohol
n-Nonyl alcohol
C9 alcohol
Alcohol C9
NGK73Q6XMC
1-Nonanol
AC1Q2W9K
UNII-NGK73Q6XMC
Alcohol C-9
KSC175S7J
ACMC-209cpi
SCHEMBL19807
CHEMBL24563
NSC5521
Nonan-1-ol
8145AF
BDBM22607
WLN: Q9
N0292
CTK0H5974
Fatty alcohol(C9)
BIDD:ER0370
DB03143
HSDB 5145
Pelargonic alcohol (1-nonanol)
n-Nonan-1-ol
C14696
DTXSID6022008
LS-2991
LP069033
Nonanol-(1)
NSC 5521
NSC-5521
OR001006
SBB059907
STL283956
CHEBI:35986
DSSTox_CID_2008
A808013
ZINC1686993
TRA0009434
KB-13031
ANW-20740
DSSTox_GSID_22008
AN-43934
1-Nonanol, 98%
MFCD00002990
LMFA05000092
DSSTox_RID_76457
AI3-03962
RTR-005495
ST51046174
TR-005495
Nonyl alcohol, >=98%, FCC
AKOS009031412
I14-8771
J-007741
FEMA No. 2789
BRN 0969213
FT-0608164
Tox21_300869
143-08-8
MCULE-4020281400
NCGC00254773-01
NCGC00248194-01
CAS-143-08-8
EINECS 205-583-7
EINECS 249-048-6
28473-21-4
MolPort-001-783-730
81307-EP2272817A1
89678-EP2377844A2
81307-EP2305687A1
81307-EP2380568A1
89678-EP2305033A1
218917-EP2377844A2
1-Nonanol, purum, >=98.0% (GC)
4-01-00-01798 (Beilstein Handbook Reference)
2E051A08-F94E-40C2-88CA-7030E15C76BF
InChI=1/C9H20O/c1-2-3-4-5-6-7-8-9-10/h10H,2-9H2,1H
Microorganism:

Yes

IUPAC namenonan-1-ol
SMILESCCCCCCCCCO
InchiInChI=1S/C9H20O/c1-2-3-4-5-6-7-8-9-10/h10H,2-9H2,1H3
FormulaC9H20O
PubChem ID8914
Molweight144.258
LogP3.03
Atoms30
Bonds29
H-bond Acceptor1
H-bond Donor1
Chemical ClassificationAlcohols

mVOC Specific Details

Volatilization
The Henry's Law constant for 1-nonanol estimated as 3.08X10-5 atm-cu m/mol(SRC) derived from its vapor pressure, 2.27X10-2 mm Hg at 25 deg C(1), and water solubility, 140 mg/L(2). This Henry's Law constant indicates that 1-nonanol is expected to volatilize from water surfaces(3). 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)(3) is estimated as 1.6 days(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(3) is estimated as 15 days(SRC). 1-Nonanol's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). 1-Nonanol is not expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(1).
Literature: (1) Daubert TE, Danner RP; Data Compilation Tables of Properties of Pure Compounds NY, NY: Amer Inst for Phys Prop Data (1989) (2) Barton AFM; pp. 438 in Solubility Data Series Vol 15 (1984) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990)
Soil Adsorption
An estimated BCF of 160 was calculated for 1-nonanol(SRC), using a log Kow of 3.77(1) and a regression-derived equation(2). According to a classification scheme(3), this BCF suggests the potential for bioconcentration in aquatic organisms is high(SRC), provided the compound is not metabolized by the organism(SRC).
Literature: (1) Barton AFM; pp. 438 in Solubility Data Series Vol 15 (1984) (2) Meylan WM et al; Environ Sci Technol 26: 1560-7 (1992) (3) Swann RL et al; Res Rev 85: 17-28 (1983) (4) Lyman WJ et al; Handbook of Chemical Property Estimation Methods, NY: McGraw-Hill Chapt 4, Eqn 4-5 (1982)
Vapor Pressure
PressureReference
0.0227 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

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaDinoroseobacter Shibae Strain DFL-27n/aDickschat et al., 2005_4
BacteriaPseudomonas Fragi 25Pn/aErcolini et al., 2009
BacteriaStreptococcus Mutans DSM 20523 as a biomarker for a breath test for detection of cariesHertel et al., 2015
FungiGanoderma Lucidumnasaprophytic on deciduous treesZiegenbein et al., 2006
FungiFusarium Graminearum 15AcDONn/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON 1001tan/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON ZFR 29n/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON_4n/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON_5n/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON_6n/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON_7n/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON_8n/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON_9n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON 1002tn/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON 11791n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON 1509n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON 8046n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON NRRL38369n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON NRRL6394n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON ZFR 15n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON ZFR 37n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON ZFR 51n/aBusko et al., 2014
FungiFusarium Graminearum NIVn/aBusko et al., 2014
FungiFusarium Graminearum NIV ZFR 119n/aBusko et al., 2014
FungiFusarium Graminearum NIV ZFR 23n/aBusko et al., 2014
FungiFusarium Graminearum NIV ZFR 48n/aBusko et al., 2014
FungiFusarium Graminearum NIV_5n/aBusko et al., 2014
FungiFusarium Graminearum NIV_6n/aBusko et al., 2014
FungiFusarium Graminearum NIV_7n/aBusko et al., 2014
FungiFusarium Graminearum NIV_8n/aBusko et al., 2014
FungiFusarium Graminearum NIV_9n/aBusko et al., 2014
FungiTuber Excavatumn/aFortywoodland of the Basilicata regionMauriello et al., 2004
FungiTuber Mesentericumn/aFortywoodland of the Basilicata regionMauriello et al., 2004
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaDinoroseobacter Shibae Strain DFL-27n/an/a
BacteriaPseudomonas Fragi 25Pn/an/a
BacteriaStreptococcus Mutans DSM 20523Brain-Heart-Infusion agarTenaxâ„¢-trap/GC-MS
FungiGanoderma LucidumnaGC/MSNo
FungiFusarium Graminearum 15AcDONyeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON 1001tayeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON ZFR 29yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON_4yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON_5yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON_6yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON_7yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON_8yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON_9yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON 1002tyeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON 11791yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON 1509yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON 8046yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON NRRL38369yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON NRRL6394yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON ZFR 15yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON ZFR 37yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON ZFR 51yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIVyeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV ZFR 119yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV ZFR 23yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV ZFR 48yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV_5yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV_6yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV_7yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV_8yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV_9yeast extract sucrose agarSPME/GC-MS
FungiTuber Excavatumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
FungiTuber Mesentericumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)