Results for:
PubChem ID: 8184

Undecan-1-ol

Mass-Spectra

Compound Details

Synonymous names
1-UNDECANOL
Undecan-1-ol
112-42-5
Undecyl alcohol
Undecanol
n-Undecanol
n-Undecyl alcohol
1-Hendecanol
Hendecanoic alcohol
Hendecyl alcohol
Alcohol C-11
n-Hendecylenic alcohol
Tip-Nip
1-Undecyl alcohol
n-Undecan-1-ol
Decyl carbinol
C11 alcohol
Neodol 1
FEMA No. 3097
Alcohol C11
Undecanol-(1)
NSC 403667
30207-98-8
DTXSID0026915
CHEBI:87499
06MJ0P28T3
NSC-403667
DTXCID706915
Alcohol, undecyl
CAS-112-42-5
UMQ
UNA
HENDECANOL
HSDB 1089
EINECS 203-970-5
BRN 1698334
Decane, hydroxymethyl deriv.
UNII-06MJ0P28T3
AI3-00330
Neoflex 11
Pri-n-undecyl alcohol
1-Undecanol, 99%
Dlcohol c-11 undecylic
EC 203-970-5
1-UNDECANOL [HSDB]
SCHEMBL20655
n-C11H23OH
Undecyl alcohol, 97%, FG
4-01-00-01835 (Beilstein Handbook Reference)
UNDECYL ALCOHOL [FCC]
UNDECYL ALCOHOL [FHFI]
UNDECYL ALCOHOL [INCI]
CHEMBL444525
AMY5947
Tox21_201585
Tox21_300548
LMFA05000144
MFCD00004751
NSC403667
s9450
STL280304
AKOS009031434
CS-W004292
HY-W004292
MCULE-9897986150
6-(methylamino)pyridin-3-ylboronic?acid
NCGC00164024-01
NCGC00164024-02
NCGC00164024-03
NCGC00254401-01
NCGC00259134-01
1-Undecanol, purum, >=98.0% (GC)
143819-62-9
BP-31088
LS-14031
NS00006811
U0005
EN300-20041
Q161686
J-002774
F8881-3903
Z104476546
Microorganism:

Yes

IUPAC nameundecan-1-ol
SMILESCCCCCCCCCCCO
InchiInChI=1S/C11H24O/c1-2-3-4-5-6-7-8-9-10-11-12/h12H,2-11H2,1H3
FormulaC11H24O
PubChem ID8184
Molweight172.31
LogP4.6
Atoms12
Bonds9
H-bond Acceptor1
H-bond Donor1
Chemical Classificationalcohols
CHEBI-ID87499
Supernatural-IDSN0187215

mVOC Specific Details

Boiling Point
DegreeReference
243 °C peer reviewed
Volatilization
The Henry's Law constant for 1-undecanol is estimated as 7.23X10-5 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that 1-undecanol 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 20 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 10 days(SRC). 1-Undecanol's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). However, volatilization from water surfaces is expected to be attenuated by adsorption to suspended solids and sediment in the water column. The volatilization half-life from a model pond is about 9 months when adsorption is considered(3). 1-Undecanol is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 2.97X10-3 mm Hg(4).
Literature: (1) Meylan WM, Howard PH; Environ Toxicol Chem 10: 1283-93 (1991) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) US EPA; EXAMS II Computer Simulation (1987) (4) Daubert TE, Danner RP; Data Compilation, Tables of Properties of Pure Cmpds, Design Inst for Phys Prop Data, Am Inst for Phys Prop Data, NY, NY (1989)
Soil Adsorption
The Koc of 1-undecanol is estimated as 8,800(SRC), using a log Kow of 4.72(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that 1-undecanol is expected to be immobile in soil.
Literature: (1) Abraham MH et al; J Pharm Sci 83: 1085-100 (1994) (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: 23 (1983)
Vapor Pressure
PressureReference
2.97X10-3 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
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaPseudomonas AeruginosaNATimm et al. 2018
ProkaryotaPseudomonas Fluorescens0Medicago spp. plant rhizospheresHernández-León et al. 2015
ProkaryotaErwinia Amylovoraenhances Arabidopsis thaliana shoot and root growthbacterial collection of the LabParmagnani et al. 2023
ProkaryotaCarnobacterium Divergensn/aNAErcolini et al. 2009
EukaryotaSaccharomyces CerevisiaeNANAHarris et al. 2021
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaPseudomonas AeruginosaMOPS glucoseSPME, GC-MSno
ProkaryotaPseudomonas AeruginosaMOPS glucose+EZSPME, GC-MSno
ProkaryotaPseudomonas AeruginosaTSASPME, GC-MSno
ProkaryotaPseudomonas FluorescensNutrient AgarSPME-GC-MSno
ProkaryotaErwinia AmylovoraSBSE/GC-MSno
ProkaryotaCarnobacterium Divergensn/an/ano
EukaryotaSaccharomyces Cerevisiaemalt extract brothHS-SPME with GC-MSno