Results for:
Species: Lepista nuda

3,7-dimethylocta-1,6-dien-3-ol

Mass-Spectra

Compound Details

Synonymous names
CDOSHBSSFJOMGT-UHFFFAOYSA-N
Linalool
Linanool
Linolool
Linalol
Linalool, primary pharmaceutical reference standard
LINALYL ALCOHOL
Natural Linalool
Phantol
allo-Ocimenol
beta-Linalool
Linalool, analytical standard
Howood Oil
p-Linalool
AC1L1MRY
AC1Q1NVD
AC1Q1NVE
Linalool ex orange oil
AC1Q2BP3
Linalool (natural)
Linalool ex ho oil
.beta.-Linalool
GTPL2469
KSC377K8J
LINALOOL EX BOIS DE ROSE
CHEMBL25306
NSC3789
SCHEMBL20316
(S)-Linalol
CTK2H7584
HSDB 645
L0048
Linalool, 97%
LINOLOOL (D)
AC-551
ACMC-209pf1
Linalool ex bois de rose oil
RP21877
C03985
CCRIS 3726
CCRIS 6557
HMS2268E18
Linalool, .beta.
Linalool, certified reference material, TraceCERT(R)
BBL027734
BC207603
BT000180
DTXSID7025502
FEMA Number 2635
LP067292
LS-1752
NSC 3789
NSC-3789
OR341488
SBB012353
ST069326
STL373777
( )-linalool
CHEBI:17580
DSSTox_CID_5502
AK-50127
AN-15757
AN-22986
ANW-37211
Caswell No. 526A
DSSTox_GSID_25502
FCH1115719
LS-97796
SC-74998
BB_NC-0123
DSSTox_RID_77812
MFCD00008906
AI3-00942
DB-062552
KB-179981
RTR-030706
TR-030706
WLN: 1U1XQ1&3UY1&1
( -)-Linalool
(+-)-Linalool
AKOS015901617
BB_NC-00123
EPA Pesticide Chemical Code 128838
Q-201306
2,7-octadiene-6-ol
3,6-octadien-3-ol
BRN 1721488
FEMA No. 2635
FT-0614785
MLS002152908
SMR000112394
78-70-6
I14-13929
2,7-dien-6-ol
3,6-dien-3-ol
Tox21_201658
Tox21_303037
(+/-) LINALOOL
Linalool, >=97%, FCC, FG
CAS-78-70-6
MCULE-2407576698
NCGC00091688-01
NCGC00091688-02
NCGC00091688-03
NCGC00091688-04
NCGC00257060-01
NCGC00259207-01
EINECS 201-134-4
EINECS 204-811-2
EINECS 245-083-6
11024-20-7
22564-99-4
LINALOOL, (+-)-
EC 201-134-4
MolPort-001-783-101
(.+/-.)-Linalool
2,6-Dimethyl-2,7-octadien-6-ol
2,6-Dimethyl-2,7-octadiene-6-ol
2,6-Dimethylocta-2,7-dien-6-ol
3,7-Dimethyl-1,6-octadien-3-ol
3,7-Dimethyl-1,6-octadien-3-ol|
3,7-Dimethylocta-1,6-dien-3-ol
dl-3,7-Dimethyl-3-hydroxy-1,6-octadiene
CU-01000013132-2
WLN: 1Y1&U3XQ1&1U1 -,-
1,6-Octadien-3-ol,3,7-Dimethyl-
3,7-dimethyl-octa-1,6-dien-3-ol
DL -3,7-Dimethyl-3-hydroxy-1,6-octadiene
1,6-Octadien-3-ol, 3,7-dimethyl-
2,7-Octadien-6-ol, 2,6-dimethyl-
0-01-00-00462 (Beilstein Handbook Reference)
(?)-3,7-Dimethyl-1,6-octadien-3-ol
(1)-3,7-Dimethyl-1,6-octadien-3-ol
1, 3,7-dimethyl-, (-)-
(+/-)-3,7-Dimethyl-3-hydroxy-1,6-octadiene
(+/-)-3,7-Dimethyl-1,6-octadien-3-ol
1,6-Octadien-3-ol, 3,7-dimethyl-, (R)-
1,6-Octadien-3-ol, 3,7-dimethyl-, (3R)-
1,6-Octadien-3-ol, 3,7-dimethyl-, (3S)-
1,6-OCTADIEN-3-OL, 3,7-DIMETHYL-, (-)-
IUPAC name3,7-dimethylocta-1,6-dien-3-ol
SMILESCC(=CCCC(C)(C=C)O)C
InchiInChI=1S/C10H18O/c1-5-10(4,11)8-6-7-9(2)3/h5,7,11H,1,6,8H2,2-4H3
FormulaC10H18O
PubChem ID6549
Molweight154.253
LogP2.65
Atoms29
Bonds28
H-bond Acceptor1
H-bond Donor1
Chemical ClassificationTerpenes Alkenes Alcohols

mVOC Specific Details

Volatilization
The Henry's Law constant for linalool is 2.15X10-5 atm-cu m/mole at 25 deg C(1). This Henry's Law constant indicates that linalool 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 54 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 20 days(SRC). Linalool's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Linalool exists as a liquid environmentally at standard temperature and pressure, therefore, it is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 0.159 mm Hg(3).
Literature: (1) Altschuh J et al; Chemosphere 39: 1871-87 (1999) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Li J et al; Environ International 24: 353-58 (1998)
Soil Adsorption
Using a structure estimation method based on molecular connectivity indices(1), the Koc of linalool can be estimated to be 75(SRC). According to a classification scheme(2), this estimated Koc value suggests that linalool is expected to have high mobility in soil.
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.11. Nov, 2012. Available from, as of Nov 20, 2015: http://www2.epa.gov/tsca-screening-tools (2) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
0.159 mm Hg at 23.5 deg CLi J et al; Environ International 24: 353-358 (1998)
MS-Links
1D-NMR-Links

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaCarnobacterium Divergens 9Pn/aErcolini et al., 2009
BacteriaPseudomonas Fragi 25Pn/aErcolini et al., 2009
BacteriaSerratia Proteamaculans 42Mn/aErcolini et al., 2009
BacteriaStreptomyces Caviscabiesn/aSchulz and Dickschat, 2007
BacteriaStreptomyces Sp. GWS-BW-H5.n/aDickschat et al., 2005_2
FungiArmillaria Mellean/aMueller et al., 2013
FungiClitocybe OdoraFranceBreheret et al. 1997
FungiHydnum RepandumFranceBreheret et al. 1997
FungiLactarius SalmonicolorFranceBreheret et al. 1997
FungiLepista NudaFranceBreheret et al. 1997
FungiMycena RoseaFranceBreheret et al. 1997
FungiPaxillus Involutus MAJn/aMueller et al., 2013
FungiPaxillus Involutus NAUn/aMueller et al., 2013
FungiPiptoporus BetulinusnaSachsenwald near HamburgRösecke et al., 2000
FungiStropharia Rugosoannulatan/aMueller et al., 2013
FungiTricholoma SulfureumFranceBreheret et al. 1997
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaCarnobacterium Divergens 9Pn/an/a
BacteriaPseudomonas Fragi 25Pn/an/a
BacteriaSerratia Proteamaculans 42Mn/an/a
BacteriaStreptomyces Caviscabiesn/an/a
BacteriaStreptomyces Sp. GWS-BW-H5.n/an/a
FungiArmillaria MelleaMelin-Nor krans synthetic medium (modified)Headspace ( using stir bar sorptive extraction )/ GC-MS
FungiClitocybe Odoraforest soilsolvent extraction, headspace, GCMSno
FungiHydnum Repandumforest soilsolvent extraction, headspace, GCMSno
FungiLactarius Salmonicolorforest soilsolvent extraction, headspace, GCMSno
FungiLepista Nudaforest soilsolvent extraction, headspace, GCMSno
FungiMycena Roseaforest soilsolvent extraction, headspace, GCMSno
FungiPaxillus Involutus MAJMelin-Nor krans synthetic medium (modified)Headspace ( using stir bar sorptive extraction )/ GC-MS
FungiPaxillus Involutus NAUMelin-Nor krans synthetic medium (modified)Headspace ( using stir bar sorptive extraction )/ GC-MS
FungiPiptoporus BetulinusnaGC/MSNo
FungiStropharia RugosoannulataMelin-Nor krans synthetic medium (modified)Headspace ( using stir bar sorptive extraction )/ GC-MS
FungiTricholoma Sulfureumforest soilsolvent extraction, headspace, GCMSno