Results for:
PubChem ID: 8184

Undecan-1-ol

Mass-Spectra

Compound Details

Synonymous names
Hendecanoic alcohol
HENDECANOL
KJIOQYGWTQBHNH-UHFFFAOYSA-N
Undecanol
Undecyl alcohol
Hendecyl alcohol
n-Hendecylenic alcohol
Decyl carbinol
n-Undecanol
1-Hendecanol
n-Undecyl alcohol
Alcohol, undecyl
Tip-Nip
AC1L1QGD
1-UNDECANOL
Pri-n-undecyl alcohol
Neodol 1
1-Undecyl alcohol
Alcohol C11
AC1Q2W7K
C11 alcohol
Decane, hydroxymethyl deriv.
ACMC-1CA8G
Neoflex 11
Undecan-1-ol
SCHEMBL20655
5912AF
CTK0H5167
U0005
Dlcohol c-11 undecylic
HMDB13113
Alcohol C-11
n-Undecan-1-ol
CHEMBL444525
NE10350
06MJ0P28T3
Undecanol-(1)
HSDB 1089
Fatty alcohol(C11)
DTXSID0026915
STL280304
NSC403667
LS-3149
LP002947
SBB059909
ZINC1596062
UNII-06MJ0P28T3
DSSTox_CID_6915
CHEBI:87499
DSSTox_GSID_26915
AN-22700
KB-66637
TRA0127006
1-Undecanol, 99%
ANW-16468
MFCD00004751
LMFA05000144
DSSTox_RID_78252
AI3-00330
CS-W004292
TR-002432
ST51046176
RTR-002432
NSC 403667
NSC-403667
AKOS009031434
J-002774
Undecyl alcohol, 97%, FG
FT-0608326
FEMA No. 3097
BRN 1698334
I14-17883
EN300-20041
Tox21_300548
Tox21_201585
F8881-3903
112-42-5
MCULE-9897986150
NCGC00164024-01
NCGC00164024-02
NCGC00164024-03
NCGC00254401-01
NCGC00259134-01
EINECS 203-970-5
CAS-112-42-5
143819-62-9
MolPort-001-788-271
1-Undecanol, purum, >=98.0% (GC)
4-01-00-01835 (Beilstein Handbook Reference)
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
FormulaCH3(CH2)9CH2OH
PubChem ID8184
Molweight172.312
LogP3.92
Atoms36
Bonds35
H-bond Acceptor1
H-bond Donor1
Chemical ClassificationAlcohols

mVOC Specific Details

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

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaCarnobacterium Divergens 9Pn/aErcolini et al., 2009
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaCarnobacterium Divergens 9Pn/an/a