Results for:
chemical Classification: Terpenes

Phosphono 3,7,11-trimethyldodeca-2,6,10-trienyl Hydrogen Phosphate

Compound Details

Synonymous names
all-trans Farnesyl pyrophosphate
FPP003
AC1L19U8
CTK4B6817
SCHEMBL109441
LP069167
CHEBI:50277
phosphono 3,7,11-trimethyldodeca-2,6,10-trienyl hydrogen phosphate
3,7,11-trimethyldodeca-2,6,10-trien-1-yl trihydrogen diphosphate
IUPAC namephosphono 3,7,11-trimethyldodeca-2,6,10-trienyl hydrogen phosphate
SMILESCC(=CCCC(=CCCC(=CCOP(=O)(O)OP(=O)(O)O)C)C)C
InchiInChI=1S/C15H28O7P2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-21-24(19,20)22-23(16,17)18/h7,9,11H,5-6,8,10,12H2,1-4H3,(H,19,20)(H2,16,17,18)
FormulaC15H28O7P2
PubChem ID706
Molweight382.33
LogP3.62
Atoms52
Bonds51
H-bond Acceptor5
H-bond Donor3
Chemical ClassificationTerpenes organophosphorus compounds

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaMyxobacterium Spp.n/aNawrath et al., 2008
BacteriaMyxococcus Xanthusn/aSchulz and Dickschat, 2007
BacteriaStigmatella Aurantiacan/aSchulz and Dickschat, 2007
BacteriaStreptomyces Coelicolorn/aSchulz and Dickschat, 2007
BacteriaStreptomyces Spp.n/aSchulz and Dickschat, 2007
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaMyxobacterium Spp.n/an/a
BacteriaMyxococcus Xanthusn/an/a
BacteriaStigmatella Aurantiacan/an/a
BacteriaStreptomyces Coelicolorn/an/a
BacteriaStreptomyces Spp.n/an/a


5-methyl-2-propan-2-ylcyclohexan-1-ol

Mass-Spectra

Compound Details

Synonymous names
Neomenthol
Racementhol
Fisherman's friend lozenges
Mentholum
NOOLISFMXDJSKH-UHFFFAOYSA-N
MENTHOL
Menthyl alcohol
Robitussin Cough Drops
Therapeutic mineral ice
d-Neomenthol
Mineral ice
dl-Menthol
AC1Q2QQM
2-Isopropyl-5-methylcyclohexanol
DL-Menthol, analytical standard
AC1L1B2E
ACMC-1BQW4
L7T10EIP3A
SCHEMBL4612
2-Isopropyl-5-methylcyclohexanol #
3-p-Menthol
K601
2-Isopropyl-5-methyl-cyclohexanol
Fisherman's friend lozenges (TN)
Menthol (USP)
Menthol [USP]
UNII-L7T10EIP3A
(?)-Menthol
dl-3-p-Menthanol
H2461
M0321
Menthol, 99%
AM81446
CHEMBL256087
LS-886
Menthol(-)
p-Menthan-3-ol
RL02685
RP22054
1-methyl-4-isopropyl-3-hydroxycyclohexane
19863P
CCRIS 9231
D04849
D04918
DSSTox_CID_805
AK111256
BBL009325
BT000185
DL-MENTHOL, CRYSTAL, USP
DR000160
DTXSID8029650
OR223322
OR240888
OR273366
STK802468
A808833
CHEBI:25187
L(-)-Menthol
RACEMIC MENTHOL U.S.P.
(-) menthol
(+) Menthol
(+)-Menthol
2-Isopropyl-5-methylcyclohexan-1-ol
4-Isopropyl-1-methylcyclohexan-3-ol
AN-19301
AN-19302
AN-19706
AN-20764
AN-24175
ANW-21459
D-p-Menthan-3-ol
DSSTox_GSID_29650
KB-78308
LS-57201
LS-89531
SC-01321
SC-54016
SC-84251
Caswell No. 540
DSSTox_RID_78794
MFCD00001484
(+)-Neo-menthol
AI3-08161
DB-063989
dl-Menthol (JP17)
KB-231063
ST24028056
TC-030785
TC-110204
5-Methyl-2-(1-methylethyl)cyclohexanol
AKOS000119740
AKOS016843634
EPA Pesticide Chemical Code 051601
I14-7371
J-500418
FT-0620596
FT-0625488
FT-0693479
FT-0695077
FT-0695078
FT-0695079
89-78-1
Tox21_200010
Tox21_303464
491-01-0
5-Methyl-2-(1-methylethyl)-cyclohexanol
Z1258992394
(+/-) menthol
(+/-)-Menthol
5-methyl-2-(propan-2-yl)cyclohexanol
1490-04-6
MCULE-3070949324
Menthol, SAJ special grade, >=98.0%
NCGC00159382-03
NCGC00159382-04
NCGC00159382-05
NCGC00159382-06
NCGC00257403-01
NCGC00257564-01
5-methyl-2-propan-2-yl-1-cyclohexanol
5-methyl-2-propan-2-ylcyclohexan-1-ol
EINECS 216-074-4
MENTHOL, (+)-neo-
Menthol, puriss., 99.0%
15356-70-4
20747-49-3
Cyclohexanol 5-methyl-2-(1-methylethyl)-
DL-Menthol, >=95%, FCC, FG
(+)-p-Menthan-3-ol
CAS-1490-04-6
EC 216-074-4
(DL)-5-methyl-2-(1-methylethyl)cyclohexanol
5-methyl-2-propan-2-yl-cyclohexan-1-ol
MolPort-000-849-729
Cyclohexanol, 5-methyl-2-(1-methylethyl)-
(1S,2R,5R)-2-isopropyl-5-methyl-cyclohexanol
5-methyl-2-(propan-2-yl)cyclohexan-1-ol
Menthol, trans-1,3,trans-1,4-
(+/-)-p-Menthan-3-ol
(1S,2R,5R)-(+)-Isomenthol
Menthol, (.+/-.)-
5-methyl-2-(1-methylethyl)cyclohexanol (1alpha, 2beta, 5alpha)
(1S, 2S, 5R)-(+)-Neomenthol
cis-1,3-trans-1,4-(+-)-menthol
cis-1 ,3-trans-1,4-(+-)-menthol
(+/-)-Menthol, racemic, >=98.0% (GC)
Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1R,2S,5S)-
Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1S,2R,5R)-
Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1S,2S,5R)-
Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1R,2R,5S)-rel-
Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1R,2S,5R)-rel-
Cyclohexanol, 5-methyl-2-propyl-, (1S-(1-alpha,2-alpha,5-beta))-
Cyclohexanol, 5-methyl-2-(1-methylethyl)-, [1S-(1?,2?,5ss)]-
Cyclohexanol, 5-methyl-2-(1-methylethyl)-, [1S-(1?,2ss,5?)]-
Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1alpha,2beta,5alpha)-(+-)-
Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1.alpha.,2.alpha.,5.beta.)-
Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1.alpha.,2.beta.,5.alpha.)-
Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1?,2ss,5?)-(+/-)-
Cyclohexanol, 5-methyl-2-(1-methylethyl)-, [1R-(1.alpha.,2.alpha.,5.beta.)]-
Cyclohexanol, 5-methyl-2-(1-methylethyl)-, [1S-(1.alpha.,2.alpha.,5.beta.)]-
Cyclohexanol, 5-methyl-2-(1-methylethyl)-, [1S-(1.alpha.,2.beta.,5.beta.)]-
Menthol solution, NMR reference standard, 30 wt. % in chloroform-d (99.8 atom % D), NMR tube size 5 mm x 8 in.
Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1.alpha.,2.beta.,5.alpha.)-(.+/-.)-
Menthol solution, NMR reference standard, 50% in chloroform-d (99.8 atom % D), chromium(III) acetylacetonate 0.5 %, NMR tube size 5 mm x 8 in.
IUPAC name5-methyl-2-propan-2-ylcyclohexan-1-ol
SMILESCC1CCC(C(C1)O)C(C)C
InchiInChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3
FormulaC10H20O
PubChem ID1254
Molweight156.269
LogP2.66
Atoms31
Bonds31
H-bond Acceptor1
H-bond Donor1
Chemical ClassificationTerpenes Alcohols

mVOC Specific Details

Volatilization
The Henry's Law constant for menthol is estimated as 2.6X10-5 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that menthol 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 2 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)(2) is estimated as 18 days(SRC). Menthol's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Menthol is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 7.7X10-3 mm Hg(SRC), determined from a fragment constant method(1).
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of May 13, 2015: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990)
Soil Adsorption
Using a structure estimation method based on molecular connectivity indices(1), the Koc of menthol can be estimated to be 88(SRC). According to a classification scheme(2), this estimated Koc value suggests that menthol is expected to have high mobility in soil.
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of May 13, 2015: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm
Vapor Pressure
PressureReference
7.67X10-3 mm Hg at 25 deg C (est)US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of July 28, 2015: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm
MS-Links

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaCarnobacterium Divergens 9Pn/aErcolini et al., 2009
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10063n/aDickschat et al., 2005_3
BacteriaPseudomonas Fragi 25Pn/aErcolini et al., 2009
BacteriaSerratia Proteamaculans 42Mn/aErcolini et al., 2009
BacteriaStigmatella Aurantiaca DW4/3-1n/aDickschat et al., 2005_5
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaCarnobacterium Divergens 9Pn/an/a
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10063n/an/a
BacteriaPseudomonas Fragi 25Pn/an/a
BacteriaSerratia Proteamaculans 42Mn/an/a
BacteriaStigmatella Aurantiaca DW4/3-1n/an/a


4,7,7-trimethylbicyclo[2.2.1]heptan-3-one

Mass-Spectra

Compound Details

Synonymous names
Alcanfor
Alphanon
Camphora
DSSYKIVIOFKYAU-UHFFFAOYSA-N
Matricaria camphor
camphor
Formosa
Formosa camphor
Japanese camphor
Kampfer
Japan camphor
Laurel camphor
Camphor oil
Camphor USP
dextro,laevo-camphor
Gum camphor
Camphor, synthetic
DL-Camphor
l-Camphor
2-Camphanone
2-Camphonone
AC1L1DWH
Huile de camphre
Root bark spirit
Spirit of camphor
2-Bornanone
2-Kamfanon
Root bark oil
AC1Q2CF0
camphor (natural)
Camphor Powder - Synthetic
d-2-Bornanone
d-2-Camphanone
Bornan-2-one
GTPL2422
HSDB 37
Kampfer [German]
KSC378C7P
Q964
Camphor (USP)
CHEMBL15768
SCHEMBL16068
UN2717
C1251
camphor, (synthetic)
Camphor, D-
CTK2H8177
HMS502E06
1,7,7-Trimethylnorcamphor
DL-Bornan-2-one
JFD03998
LS-126
(1R)-Camphor
C00809
C18369
D00098
HMS2268A06
Huile de camphre [French]
Sarna (Salt/Mix)
AC-5284
BBL012963
BT000174
DTXSID5030955
Heet (Salt/Mix)
LS-1691
OR001346
OR116929
OR327727
STK803534
UN 2717
(-)-Alcanfor
2-Kamfanon [Czech]
A838646
ACMC-209k77
CHEBI:36773
D(+)-Camphor
(-)-Camphor
(+)-Camphor
AC-15523
AN-11174
AN-17868
AN-23465
AN-23893
ANW-30449
Bornane, 2-oxo-
DSSTox_GSID_30955
KB-00097
KB-50285
LS-48718
TRA0077646
BB_NC-0198
CAMPHOR POWDER D.A.B.8
Caswell No. 155
DSSTox_CID_10955
DSSTox_RID_78860
MFCD00064149
NINDS_000724
AI3-01698
AI3-18783
Camphor, (1R)-Isomer
DB-070734
dl-Camphor (JP17)
KB-270826
RTR-037701
TR-037701
2-Keto-1,7,7-trimethylnorcamphane
AKOS000118728
AKOS022060577
D-(+)-Camphor
DivK1c_000724
EPA Pesticide Chemical Code 015602
I06-1217
KBio1_000724
l-(-)-Camphor
Q-200784
W-109539
W-110530
(+-)-Camphor
BRN 1907611
BRN 3196099
FEMA No. 2230
FT-0607017
IDI1_000724
MLS001055495
SMR000386909
(+)-2-Bornanone
1,7,7-trimethylnorbornan-2-one
76-22-2
I14-16513
LMPR0102120001
Z940713494
Tox21_200237
464-48-2
F0001-0763
(+/-)-Camphor
Camphor, (+)-
CAS-76-22-2
Norcamphor, 1,7,7-trimethyl-
Camphor, (+-)-Isomer
MCULE-2476865084
NCGC00090681-05
NCGC00090730-01
NCGC00090730-02
NCGC00257791-01
EINECS 200-945-0
EINECS 207-355-2
EINECS 244-350-4
21368-68-3
CAMPHOR, (+-)-
(1R)-(+) Camphor
(1R)-(+)-amphor
MolPort-002-506-944
Camphor, synthetic [UN2717] [Flammable solid]
(.+/-.)-Camphor
Camphor, (+/-)-
(1R, 4R)-(+) Camphor
(1R,4R)-1,7,7-trimethylnorbornan-2-one
Camphor, (.+/-.)-
1,7,7-Trimethylbicyclo(2.2.1)-2-heptanone
1,7,7-Trimethylbicyclo(2.2.1)heptan-2-one
1,7,7-Trimethylbicyclo[2.2.1]-2-heptanone
1,7,7-Trimethylbicyclo[2.2.1]heptan-2-one
4,7,7-trimethyl-3-bicyclo[2.2.1]heptanone
4,7,7-trimethylbicyclo[2.2.1]heptan-3-one
Camphor, (1R,4R)-(+)-
1,7,7-Trimethyl-bicyclo(2,2,1)Heptan-2-one
1,7,7-Trimethyl-bicyclo[2.2.1]heptan-2-one
1,7,7-trimethyl-bicyclo[2.2.1]heptan-6-one
(+/-)-Camphor, 96% 100g
Bicyclo(2.2.1)heptane-2-one, 1,7,7-trimethyl-
Bicyclo[2.2.1]heptane-2-one, 1,7,7-trimethyl-
Bicyclo(2.2.1)heptan-2-one, 1,7,7-trimethyl-
Bicyclo[2.2.1]heptan-2-one, 1,7,7-trimethyl-
(+/-)-1,7,7-trimethyl-bicyclo[2,2,1]heptane-2-one
Bicyclo(2.2.1)heptan-2-one, 1,7,7-trimethyl-, (1theta)-
Bicyclo(2.2.1)heptan-2-one, 1,7,7-trimethyl-, (1R)-
Bicyclo[2.2.1]heptan-2-one, 1,7,7-trimethyl-, (1R)-
Bicyclo[2.2.1]heptan-2-one, 1,7,7-trimethyl-, (1S)-
Bicyclo[2.2.1]heptan-2-one, 1,7,7-trimethyl-, (1S,4S)-
Bicyclo[2.2.1]heptan-2-one, 1,7,7-trimethyl-, (+/-)-
CAMPHOR (SEE ALSO DL-CAMPHOR (21368-68-3) AND D-CAMPHOR (464-49-3))
Bicyclo[2.2.1]heptan-2-one, 1,7,7-trimethyl-, (.+/-.)-
DL-CAMPHOR (SEE ALSO D-CAMPHOR (464-49-3) AND DL-CAMPHOR (21368-68-3))
IUPAC name4,7,7-trimethylbicyclo[2.2.1]heptan-3-one
SMILESCC1(C2CCC1(C(=O)C2)C)C
InchiInChI=1S/C10H16O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H3
FormulaC10H16O
PubChem ID2537
Molweight152.237
LogP2.55
Atoms27
Bonds28
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationTerpenes Ketones Bicyclo

mVOC Specific Details

Volatilization
The Henry's Law constant for camphor is estimated as 8.3X10-5 atm-cu m/mole(SRC) derived from its vapor pressure, 0.65 mm Hg(1), and water solubility, 1.570X10+3 mg/L(2). This Henry's Law constant indicates that camphor 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 17 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)(3) is estimated as 9 days(SRC). Camphor's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Camphor is expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(1).
Literature: (1) Jones AH; J Chem Eng Data 5: 196-200 (1960) (2) Yalkowky SH et al; Handbook of Aqueous Solubility Data. 2nd ed., Boca Raton, FL: CRC Press, p. 721 (2010) (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
Using a structure estimation method based on molecular connectivity indices(1), the Koc of camphor can be estimated to be 117(SRC). According to a classification scheme(2), this estimated Koc value suggests that camphor 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 May 21, 2014: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (2) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
0.65 mm Hg at 25 deg CJones AH; J Chem Eng Data 5: 196-200 (1960)

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10063n/aDickschat et al., 2005_3
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10267n/aDickschat et al., 2005_3
BacteriaStreptomyces Albusn/aSchulz and Dickschat, 2007
FungiAntrodia Cinnamomea ATCC 200183nanaLu et al., 2014
FungiFomitopsis PinicolanaGermanyRösecke et al., 2000
FungiGanoderma Lucidumnasaprophytic on deciduous treesZiegenbein et al., 2006
FungiTuber Magnatumn/aItalian geographical areas (Emilia Romagna, Border region area between Emilia Romagna and Marche)Gioacchini et al., 2008
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10063n/an/a
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10267n/an/a
BacteriaStreptomyces Albusn/an/a
FungiAntrodia Cinnamomea ATCC 200183PDAGC/MSYes
FungiFomitopsis PinicolanaGC/MSNo
FungiGanoderma LucidumnaGC/MSNo
FungiTuber Magnatumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)


(4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl) Acetate

Mass-Spectra

Compound Details

Synonymous names
isoborneol acetate
Isobornyl acetate
KGEKLUUHTZCSIP-UHFFFAOYSA-N
Pichtosin
Bornyl ethanoate
L-BORNYLACETATE
BORNYL ACETATE
Acetic acid isobornyl
Bornyl acetic ether
endo-bornyl acetate
iso-bornyl acetate
AC1Q1LBC
AC1Q1LBD
Borneol, acetate
L-bornyl acetate
2-Camphanol acetate
2-Camphanyl acetate
D,L-Isobornyl Acetate
endo-2-Camphanyl ethanoate
AC1L1MK0
AC1Q624O
KSC643A2L
M580
BORNYL ACETATE (ISO)
CTK5E3025
endo-2- camphanol acetate
V0308
SCHEMBL117760
HMS3264P09
AK305643
BBL033932
BT000267
CHEMBL1439452
Jsp001645
LS-2587
NSC163480
NSC407158
NSC759844
OR338986
STK079562
AN-19137
AN-22962
AN-23897
FCH1484150
KB-00126
TRA0020925
TRA0095269
(-)-Bornyl acetate
(+)-Bornyl acetate
BB_NC-0749
MFCD00867808
AI3-00665
CCG-213841
DB-066148
DB-072157
NSC 407158
NSC-163480
NSC-407158
NSC-759844
RTR-009478
ST50308180
TR-009478
AKOS005392232
4CH-024769
FEMA No. 2159
FT-0623175
FT-0690920
L-(-)-Bornyl acetate
76-49-3
I14-13399
BBV-42867202
NCI60_020169
125-12-2
5655-61-8
MCULE-5021705670
NCGC00159354-02
NCGC00159354-03
AB01563199_01
EINECS 200-964-4
20347-65-3
28974-17-6
71424-71-0
92618-89-8
Pharmakon1600-01502510
SR-01000944256
(1,7,7-trimethylnorbornan-2-yl) acetate
MolPort-000-743-453
SR-01000944256-1
1,7-Trimethylbicyclo[2.2.1]heptan-2-ol acetate
1,7,7-Trimethylbicyclo(2.2.1)heptan-2-ol acetate
1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl acetate
1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl acetate
endo-1,7,7-Trimethylbicyclo(2.2.1)hept-2-yl acetate
1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl acetate #
(1,7,7-trimethyl-6-bicyclo[2.2.1]heptanyl) acetate
(4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl) acetate
1,7,7-Trimethylbicyclo(2.2.1)heptan-2-yl acetate, endo-
Acetic acid, 1,7,7-trimethyl-bicyclo[2.2.1]hept-2-yl ester
Bicyclo[2.2.1]heptan-2-ol,7,7-trimethyl-, acetate, endo-
endo-(1S)-1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl acetate
Bicyclo(2.2.1)heptan-2-ol, 1,7,7-trimethyl-, acetate, endo-
Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, acetate, endo-
Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, acetate, (1S,2R,4S)-
BICYCLO[2.2.1]HEPTAN-2-OL,1,7,7-TRIMETHYL-, 2-ACETATE, (1S,2R,4S)-
Bicyclo(2.2.1)heptan-2-ol, 1,7,7-trimethyl-, acetate, (1R,2S,4R)-rel-
Bicyclo[2.2.1]heptan-2-ol,1,7,7-trimethyl-, 2-acetate, (1R,2S,4R)-rel-
Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, 2-acetate, (1S,2R,4S)-
Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, 2-acetate, (1R,2R,4R)-rel-
Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, 2-acetate, (1R,2S,4R)-rel-
IUPAC name(4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl) acetate
SMILESCC(=O)OC1CC2CCC1(C2(C)C)C
InchiInChI=1S/C12H20O2/c1-8(13)14-10-7-9-5-6-12(10,4)11(9,2)3/h9-10H,5-7H2,1-4H3
FormulaC12H20O2
PubChem ID6448
Molweight196.29
LogP2.43
Atoms34
Bonds35
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationTerpenes Esters

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaStreptomyces Sp. GWS-BW-H5.n/aDickschat et al., 2005_2
BacteriaChondromyces Crocatusn/aSchulz et al., 2004
BacteriaBurkholderia Ambifaria LMG 17828n/aBurkholderia ambifaria LMG 17828 from root, LMG 19182 from rhizosphere and LMG 19467 from clinical.Groenhagen et al., 2013
BacteriaBurkholderia Ambifaria LMG 19182n/aBurkholderia ambifaria LMG 17828 from root, LMG 19182 from rhizosphere and LMG 19467 from clinical.Groenhagen et al., 2013
BacteriaBurkholderia Ambifaria LMG 19467n/aBurkholderia ambifaria LMG 17828 from root, LMG 19182 from rhizosphere and LMG 19467 from clinical.Groenhagen et al., 2013
BacteriaCarnobacterium Divergens 9Pn/aErcolini et al., 2009
BacteriaNannocystis Exedens Na E485n/aDickschat et al., 2007
BacteriaNannocystis Exedens Na EB37n/aDickschat et al., 2007
BacteriaNannocystis Exedens Subsp. Cinnabarina Na C29n/aDickschat et al., 2007
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaStreptomyces Sp. GWS-BW-H5.n/an/a
BacteriaChondromyces Crocatusn/an/a
BacteriaBurkholderia Ambifaria LMG 17828Luria-Bertani medium, Malt Extractn/a
BacteriaBurkholderia Ambifaria LMG 19182Luria-Bertani medium, Malt Extractn/a
BacteriaBurkholderia Ambifaria LMG 19467Luria-Bertani medium, Malt Extractn/a
BacteriaCarnobacterium Divergens 9Pn/an/a
BacteriaNannocystis Exedens Na E485n/an/a
BacteriaNannocystis Exedens Na EB37n/an/a
BacteriaNannocystis Exedens Subsp. Cinnabarina Na C29n/an/a


3,5,5-trimethylcyclohex-2-en-1-one

Mass-Spectra

Compound Details

Synonymous names
Isoacetophorone
Isooctopherone
ISOPHORONE
HJOVHMDZYOCNQW-UHFFFAOYSA-N
Isoforon
Isoforone
Isophoron
Izoforon
alpha-Isophorone
Isophorone Reagent Grade
Isophorone, analytical standard
AC1L1MRJ
AC1Q2HBB
AC1Q2HBC
ISOPHORONE, REAG
Isoforone [Italian]
.alpha.-Isophoron
.alpha.-Isophorone
2BR99VR6WA
Izoforon [Polish]
K387
KSC377I8H
3,5,5-Trimethylcyclohexenone
ACMC-209pep
Isophorone, 97%
NSC4881
SCHEMBL22522
UNII-2BR99VR6WA
CTK2H7483
HSDB 619
I0151
BIDD:ER0627
RL05042
C14743
CCRIS 1353
DSSTox_CID_759
3,5-Trimethyl-2-cyclohexenone
3,5,5-Trimethylcyclohexen one
BBL027346
CHEMBL1882894
DTXSID8020759
LS-1750
NSC-4881
NSC403657
OR000839
OR341384
STK801792
A839454
CHEBI:34800
NCI-C55618
AC-10580
AN-42106
ANW-37199
CJ-14631
DSSTox_GSID_20759
Isophorone, >=97%, FG
SC-74911
TRA0010206
BB_NC-0161
Caswell No. 506
DSSTox_RID_75774
MFCD00001584
ZINC14822379
AI3-00046
NSC 403657
NSC-403657
RTR-025123
ST50330654
TR-025123
AKOS000120392
AKOS025243269
EPA Pesticide Chemical Code 047401
I14-2746
W-104274
3,5,5-Trimethyl-2-cyclohexenone
3,5,5-Trimethylcyclohex-2-enone
BRN 1280721
FEMA No. 3553
FT-0627443
78-59-1
Tox21_202312
Tox21_300050
F0001-2053
1,3-Trimethyl-3-cyclohexene-5-one
3,5-Trimethyl-2-cyclohexen-1-one
3,5-Trimethyl-2-cyclohexene-1-one
CAS-78-59-1
Isophorone, Vetec(TM) reagent grade, 97%
3,5-Trimetil-2-cicloesen-1-one
MCULE-5564101474
NCGC00164006-01
NCGC00164006-02
NCGC00164006-03
NCGC00254115-01
NCGC00259861-01
3,5,5-Trimethylcyclohexen-2-one-1
EINECS 201-126-0
2-Cyclohexen-1-one,5,5-trimethyl-
WLN: L6V BUTJ C1 D1 D1
1,1,3-Trimethyl-3-cyclohexene-5-one
1,5,5-Trimethyl-1-cyclohexen-3-one
3,3,5-Trimethyl-2-cyclohexen-1-one
3,5,5-trimethyl-1-cyclohex-2-enone
3,5,5-Trimethyl-2-cyclohexen-1-one
3,5,5-Trimethyl-2-cyclohexene-1-one
3,5,5-Trimethylcyclohex-2-en-1-one
3,5,5-trimethylcyclohexa-2-en-1-one
MolPort-000-701-433
3,5,5-Trimethyl-2-cyclohexen-1-on
3,5,5-Trimetil-2-cicloesen-1-one
3,3,5-trimethyl-cyclohex-5-en-1-one
3,5,5-trimethyl-cyclohex-2-en-1-one
Isophorone-2,4,4,6,6-d5
2-Cyclohexen-1-one, 3,5,5-trimethyl-
3,3,5-trimethyl-cyclohex-5 -en-1-one
3,5-Trimethyl-2-cyclohexen-1-on (GERMAN, DUTCH)
3,5,5-Trimetil-2-cicloesen-1-one [Italian]
4-07-00-00165 (Beilstein Handbook Reference)
3,5,5-Trimethyl-2-cyclohexen-1-on [German, Dutch]
InChI=1/C9H14O/c1-7-4-8(10)6-9(2,3)5-7/h4H,5-6H2,1-3H
IUPAC name3,5,5-trimethylcyclohex-2-en-1-one
SMILESCC1=CC(=O)CC(C1)(C)C
InchiInChI=1S/C9H14O/c1-7-4-8(10)6-9(2,3)5-7/h4H,5-6H2,1-3H3
FormulaC9H14O
PubChem ID6544
Molweight138.21
LogP2.32
Atoms24
Bonds24
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationTerpenes Alkenes Ketones

mVOC Specific Details

Volatilization
The Henry's Law constant for isophorone is estimated as 6.6X10-6 atm-cu m/mole(SRC) derived from its vapor pressure, 0.438 mm Hg(1), and water solubility, 12,000 mg/l(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)(3) is estimated as 7 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 52 days(SRC). Isophorone's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Isophorone is not expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(1).
Literature: (1) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, DC: Taylor and Francis (1989) (2) Parrish CF; Kirk-Othmer Encycl Chem Tech 3rd; NY, NY: Wiley-Intrsci 21: 377-401 (1983) (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
The Koc of isophorone is estimated as 200(SRC), using a log Kow of 1.7(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that isophorone is expected to have moderate mobility in soil.
Literature: (1) Veith GD et al; pp. 116-29 in Aquatic Toxicology. Easton JG et al, eds. Amer Soc Test Mat ASTM STP 707 (1980) (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
0.438 mm Hg @ 25 deg CDaubert, 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
BacteriaOscillatoria Perornatan/aSchulz and Dickschat, 2007
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaOscillatoria Perornatan/an/a


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


4,6,6-trimethylbicyclo[3.1.1]hept-3-ene

Mass-Spectra

Compound Details

Synonymous names
Phosphosulfurized alpha-pinene
ALPHA-PINENEPOLYMER
alphapinene
GRWFGVWFFZKLTI-UHFFFAOYSA-N
Cyclic dexadiene
alpha-Pinene, phosphosulfurized
Pinene isomer
alpha pinene
ALPHA-PINENE
Sylvapine A
Acintene A
Acitene A
Wilt Pruf
Alpha Pinene PF
DL-ALPHA-PINENE
2-Pinene
PINENE, ALPHA
1R-alpha-Pinene
AC1L1N0D
alpha-pinene, pinene
alpha-Pinene(dextro)
1R-a-Pinene
.alpha.-Pinene
alpha-Pinene (natural)
NSC7727
pin-2-ene
UN2368
CCRIS 697
CTK5E7908
HMDB06525
HSDB 720
CHEMBL442565
NSC94522
NSC94523
PC 500
alpha [D] Pinene
alpha [L] Pinene
C09880
BT000143
DTXSID4026501
FEMA Number 2902
LS-2348
NSC 7727
NSC-7727
OR038360
OR246844
OR249294
Pinene, .alpha.
SBB060477
UN 2368
1R-.alpha.-Pinene
1S-.alpha.-Pinene
CHEBI:36740
DSSTox_CID_6501
AN-19420
AN-19426
AN-42193
DSSTox_GSID_26501
NSC-94522
NSC-94523
SC-18193
DSSTox_RID_78126
PINENE, ALPHA (D)
PINENE, ALPHA (L)
AI3-24594
ST51046656
AKOS000121239
Q-201582
(+)-a-Pinene
BRN 3194807
FEMA No. 2902
FT-0604379
FT-0604414
FT-0622197
FT-0698080
pin-2(3)-ene
(R)-.alpha.-Pinene
80-56-8
(+-)-alpha-pinene
Tox21_110996
Tox21_200108
Tox21_303385
1R-(+)-alpha-pinene
alpha-Pinene, phosphorus pentasulfide reaction product (4:1)
DL-Pin-2(3)-ene
CAS-80-56-8
1R-(+)-a-pinene
MCULE-3589656574
NCGC00090682-01
NCGC00090682-02
NCGC00257379-01
NCGC00257662-01
(+-)-2-pinene
(+/-)-alpha-Pinene
EINECS 201-291-9
EINECS 219-445-9
EINECS 267-032-7
25766-18-1
39388-04-0
39423-40-0
50815-61-7
53569-35-0
56833-58-0
57762-87-5
67762-73-6
68411-25-6
72510-05-5
102640-64-2
103657-08-5
459844-87-2
alpha-Pinene [UN2368] [Flammable liquid]
(+/-)-2-Pinene
MolPort-003-926-536
(1R)-(+)-a-Pinene
(+)-Pin-2(3)-ene
2,6-Trimethylbicyclo[3.1.1]-2-heptene
(.+/-.)-.alpha.-Pinene
2,6,6-Trimethylbicyclo(3.1.1)hept-2-ene
2,6,6-Trimethylbicyclo[3.1.1]-2-heptene
2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene
4,6,6-trimethylbicyclo[3.1.1]hept-3-ene
4,6,6-Trimethylbicyklo(3,1,1)hept-3-en
Bicyclo[3.1.1]hept-2-ene,6,6-trimethyl-
2,6-Trimethylbicyclo[3.1.1]-2-hept-2-ene
2,6,6-trimethyl-Bicyclo(3.1.1)hept-2-ene
2,6,6-trimethyl-bicyclo[3.1.1]hept-2-ene
2-Pinene, (1S,5S)-(-)-
2,6,6-Trimethyl bicyclo-(3,1,1)-2 heptene
Bicyclo(3.1.1)hept-2-ene, 2,6,6-trimethyl
Bicyclo[3.1.1]hept-2-ene,2,6,6-trimethyl-
2,6,6-Trimethylbicyclo(3.1.1)-2-hept-2-ene
4,6,6-Trimethylbicyklo(3,1,1)hept-3-en [Czech]
Bicyclo(3.1.1)hept-2-ene, 2,6,6-trimethyl-, phosphosulfurized
Bicyclo(3.1.1)hept-2-ene, 2,6,6-trimethyl-
Bicyclo[3.1.1]hept-2-ene, 2,6,6-trimethyl-
(1R)-2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene
(1S)-2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene
Bicyclo(3.1.1)hept-2-ene, 2,6,6-trimethyl-, homopolymer
Bicyclo[3.1.1]hept-2-ene, 2,6,6-trimethyl-, (1R)-
Bicyclo[3.1.1]hept-2-ene, 2,6,6-trimethyl-, (1S)-
Bicyclo[3.1.1]hept-2-ene, 2,6,6-trimethyl-, (.+/-.)-
IUPAC name4,6,6-trimethylbicyclo[3.1.1]hept-3-ene
SMILESCC1=CCC2CC1C2(C)C
InchiInChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3
FormulaC10H16
PubChem ID6654
Molweight136.238
LogP2.8
Atoms26
Bonds27
H-bond Acceptor0
H-bond Donor0
Chemical ClassificationTerpenes Alkenes Bicyclo

mVOC Specific Details

Volatilization
The Henry's Law constant for alpha-pinene is estimated as 0.29 atm-cu m/mole(SRC) derived from its vapor pressure, 4.75 mm Hg(1), and water solubility, 2.49 mg/L(2). This Henry's Law constant indicates that alpha-pinene is expected to volatilize rapidly 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 3 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)(3) is estimated as 5 days(SRC). alpha-Pinene's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of alpha-pinene from dry soil surfaces may exist based upon a vapor pressure of 4.75 mm Hg(1).
Literature: (1) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals: Data Compilation. Design Inst Phys Prop Data, Amer Inst Chem Eng NY, NY: Hemisphere Pub Corp (1989) (2) Li J, Perdue EM; Physicochemical properties of selected monoterpenes. Pre-print extended abstract, Presented before the Division of Environmental Chemistry, Amer. Chem. Soc., Anaheim, CA, April 2-7, 1995 (1995) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990)
Solubility
ALMOST INSOLUBLE IN PROPYLENE GLYCOL & GLYCERINE
Literature: Fenaroli's Handbook of Flavor Ingredients. Volume 2. Edited, translated, and revised by T.E. Furia and N. Bellanca. 2nd ed. Cleveland: The Chemical Rubber Co., 1975., p. 486
Literature: #Sol in alcohol, chloroform, ether, glacial acetic acid, fixed oils
Literature: Lewis, R.J. Sax's Dangerous Properties of Industrial Materials. 10th ed. Volumes 1-3 New York, NY: John Wiley & Sons Inc., 1999., p. 2970
Literature: #In water, 2.49 mg/L at 25 deg C
Literature: Li J, Perdue EM; Physicochemical Properties of Selected Monoterpenes. Pre-print Extended Abstract, Presented Before The Division of Environmental Chemistry, Amer Chem Soc, Anaheim, Ca: April 2-7 (1995)
Soil Adsorption
The Koc of alpha-pinene is estimated as 2,600(SRC), using a water solubility of 2.49 mg/L(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that alpha-pinene is expected to have slight mobility in soil.
Literature: (1) Li J, Perdue EM; Physicochemical properties of selected monoterpenes. Pre-print extended abstract, Presented before the Division of Environmental Chemistry, Amer. Chem. Soc., Anaheim, CA, April 2-7, 1995 (1995) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 4-5 (1990) (3) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
4.75 mm Hg at 25 deg CDaubert, 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
BacteriaBacillus Amyloliquefaciens FZB42Agriculture University of Nanjing, ChinaTahir et al. 2018
BacteriaBacillus Artrophaeus LSSC22Agriculture University of Nanjing, ChinaTahir et al. 2031
BacteriaBurkholderia Sp. AD24bacterial interationsrhizosphere and bulk soil of Carex arenariaTyc et al. 2017
BacteriaPaenibacillus Sp. AD87bacterial interationsrhizosphere and bulk soil of Carex arenariaTyc et al. 2017
BacteriaStreptomyces Griseus Subsp. Griseus DSM 40236nasoilWilkins, 1996
FungiAntrodia Cinnamomea ATCC 200183nanaLu et al., 2014
FungiAspergillus Fumigatuscompost Fischer et al. 2045
FungiCladosporium CladosporiodesHedlund et al 1995
FungiCladosporium HerbarumHedlund et al 1995
FungiFomitopsis PinicolanaGermanyRösecke et al., 2000
FungiGanoderma Lucidumnasaprophytic on deciduous treesZiegenbein et al., 2006
FungiMortierella Isabellinamor horizon of a spruce forest soil southeastern SwedenBengtsson et al 1991
FungiPenicillium Commune Pittnain dry-cured meat products, cheeseSunesson et al., 1995
FungiPenicillium SpinulosumHedlund et al 1995
FungiPiptoporus BetulinusnaSachsenwald near HamburgRösecke et al., 2000
FungiSpongiporus Leucomallellusnasaprophytic mostly on wet, old pinesZiegenbein et al., 2006
BacteriaCalothrix Parietina PCC 6303n/aHoeckelmann et al., 2004
BacteriaCarnobacterium Divergens 9Pn/aErcolini et al., 2009
BacteriaMix Of Bacteria(Serratia Proteamaculans 42Mn/aErcolini et al., 2009
BacteriaPhormidium Sp.n/aHoeckelmann et al., 2004
BacteriaPseudomonas Fragi 25Pn/aErcolini et al., 2009
BacteriaRivularia Sp.n/aHoeckelmann et al., 2004
BacteriaStreptomyces Griseusn/aSchulz and Dickschat, 2007
FungiAgrocybe AegeritaFranceBreheret et al. 1997
FungiAmanita OvoideaFranceBreheret et al. 1997
FungiAspergillus Fumigatus Strain FGSC A1163Heddergott et al. 2014
FungiBoletus AestivalisFranceBreheret et al. 1997
FungiCantharellus CibariusFranceBreheret et al. 1997
FungiCortinarius CinnamomeusFranceBreheret et al. 1997
FungiCystoderma AmianthinumFranceBreheret et al. 1997
FungiCystoderma CarchariasFranceBreheret et al. 1997
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
FungiGomphidius GlutinosusFranceBreheret et al. 1997
FungiHydnum RepandumFranceBreheret et al. 1997
FungiHygrophorus AgathosmusFranceBreheret et al. 1997
FungiMycena PuraFranceBreheret et al. 1997
FungiMycena RoseaFranceBreheret et al. 1997
FungiSuillus LuteusFranceBreheret et al. 1997
FungiTricholoma CaligatumFranceBreheret et al. 1997
FungiTricholoma PortentosumFranceBreheret et al. 1997
FungiTricholoma SulfureumFranceBreheret et al. 1997
BacteriaBurkholderia Tropica MTo431n/aTenorio-Salgado et al., 2013
BacteriaEscherichia Coli MG1655Bokinsky et al., 2011
FungiTuber Magnatumn/aItalian geographical areas ( Marche, Border region area between Emilia Romagna and Marche)Gioacchini et al., 2008
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaBacillus Amyloliquefaciens FZB42LBSPME-GC-MSno
BacteriaBacillus Artrophaeus LSSC22LBSPME-GC-MSno
BacteriaBurkholderia Sp. AD24TSBAGC-Q-TOFno
BacteriaPaenibacillus Sp. AD87TSBAGC-Q-TOFno
BacteriaStreptomyces Griseus Subsp. Griseus DSM 40236Nutrient agar CM3GC/MS
FungiAntrodia Cinnamomea ATCC 200183PDAGC/MSYes
FungiAspergillus Fumigatusyest extract sucroseTenax/GC-MSno
FungiCladosporium CladosporiodesGC-MSno
FungiCladosporium HerbarumGC-MSno
FungiFomitopsis PinicolanaGC/MSNo
FungiGanoderma LucidumnaGC/MSNo
FungiMortierella Isabellinadiethyl extraction, GC-MSno
FungiPenicillium Commune PittDG18GC/MS
FungiPenicillium SpinulosumGC-MSno
FungiPiptoporus BetulinusnaGC/MSNo
FungiSpongiporus LeucomallellusnaGC/MSNo
BacteriaCalothrix Parietina PCC 6303n/an/a
BacteriaCarnobacterium Divergens 9Pn/an/a
BacteriaMix Of Bacteria(Serratia Proteamaculans 42Mn/an/a
BacteriaPhormidium Sp.n/an/a
BacteriaPseudomonas Fragi 25Pn/an/a
BacteriaRivularia Sp.n/an/a
BacteriaStreptomyces Griseusn/an/a
FungiAgrocybe Aegeritaforest soilsolvent extraction, headspace, GCMSno
FungiAmanita Ovoideaforest soilsolvent extraction, headspace, GCMSno
FungiAspergillus Fumigatus Strain FGSC A1163Brian`s broth, AMM, RPMI 1642SPME / GC-MS
FungiBoletus Aestivalisforest soilsolvent extraction, headspace, GCMSno
FungiCantharellus Cibariusforest soilsolvent extraction, headspace, GCMSno
FungiCortinarius Cinnamomeusforest soilsolvent extraction, headspace, GCMSno
FungiCystoderma Amianthinumforest soilsolvent extraction, headspace, GCMSno
FungiCystoderma Carchariasforest soilsolvent extraction, headspace, GCMSno
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
FungiGomphidius Glutinosusforest soilsolvent extraction, headspace, GCMSno
FungiHydnum Repandumforest soilsolvent extraction, headspace, GCMSno
FungiHygrophorus Agathosmusforest soilsolvent extraction, headspace, GCMSno
FungiMycena Puraforest soilsolvent extraction, headspace, GCMSno
FungiMycena Roseaforest soilsolvent extraction, headspace, GCMSno
FungiSuillus Luteusforest soilsolvent extraction, headspace, GCMSno
FungiTricholoma Caligatumforest soilsolvent extraction, headspace, GCMSno
FungiTricholoma Portentosumforest soilsolvent extraction, headspace, GCMSno
FungiTricholoma Sulfureumforest soilsolvent extraction, headspace, GCMSno
BacteriaBurkholderia Tropica MTo431Potato dextrose agarHeadspace trapping/ GC-MS
BacteriaEscherichia Coli MG1655Luria-Bertani (LB)
FungiTuber Magnatumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)


3,7-dimethyloct-6-enyl Acetate

Mass-Spectra

Compound Details

Synonymous names
Citronellyl ethanoate
Citronellol acetate
CitronellyI acetate
Citronellyl acetate
Cephreine
Citronellyl Extra
JOZKFWLRHCDGJA-UHFFFAOYSA-N
beta-citronellol acetate
beta-Citronellyl acetate
Acetic acid citronellyl
Citronellyl acetate, analytical standard
b-citronellyl acetate
Natural rhodinol, acetylated
Acetic acid, citronellyl ester
Ctronellyl acetate (natural)
AC1L1S4Y
.beta.-Citronellyl acetate
ACMC-1B6AI
KSC204E3B
AC1Q66K6
7556AA
NSC4893
CTK1A4230
.beta.-Citronellol, acetate
SCHEMBL157075
C12298
DTXSID5051739
AK114232
CHEMBL1453648
NSC-4893
NSC 4893
LS-2636
LP002951
Jsp002879
CHEBI:70478
WLN: 1Y1&U3Y1&WOV1
AN-23316
ANW-21300
BDBM50037054
C-58177
MFCD00015039
3,7-dimethyloct-6-enyl acetate
3,7-Dimethyl-6-octenyl acetate
KB-234376
RTR-006170
ST24028242
ST50410142
TR-006170
AI3-02039
Q-200868
I14-1181
AKOS015899521
FT-0623967
FEMA No. 2981
FEMA No. 2311
BRN 1723886
LMPR0102010015
Citronellyl acetate, >=95%, FCC, FG
acetic acid 3,7-dimethyl-6-octenyl ester
150-84-5
3,7-dimethyl-6-octen-1yl acetate
1-Acetoxy-3,7-dimethyloct-6-ene
NCGC00095623-01
MCULE-2538735041
Acetic acid,7-dimethyl-6-octen-1-yl ester
EINECS 266-837-0
EINECS 205-775-0
67650-82-2
3,7-Dimethyl-6-octen-1-yl ethanoate
67601-05-2
Citronellyl acetate, mixture of isomers, natural, >=95%, FG
3,7-Dimethyl-6-octen-1-ol acetate
3,7-Dimethyl-6-octen-1-yl acetate
3,7-Dimethyloct-6-en-1-yl acetate
2-Octen-8-ol,6-dimethyl-, acetate
6-Octen-1-ol,7-dimethyl-, acetate
(1)-3,7-Dimethyloct-6-enyl acetate
Acetic acid, 3,7-dimethyl-6-octen-1-yl ester
6-Octen-l-ol, 3,7-dimethyl-, acetate
2-Octen-8-ol, 2,6-dimethyl-, acetate
6-Octen-1-ol, 3,7-dimethyl-, acetate
1-02-00-00065 (Beilstein Handbook Reference)
6-Octen-1-ol, 3,7-dimethyl-, 1-acetate
6-Octen-1-ol, 3,7-dimethyl-, acetate, (3S)-
6-Octen-1-ol, 3,7-dimethyl-, 1-acetate, (3S)-
IUPAC name3,7-dimethyloct-6-enyl acetate
SMILESCC(CCC=C(C)C)CCOC(=O)C
InchiInChI=1S/C12H22O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6,11H,5,7-9H2,1-4H3
FormulaC12H22O2
PubChem ID9017
Molweight198.306
LogP3.19
Atoms36
Bonds35
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationTerpenes Alkenes Esters

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
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaCarnobacterium Divergens 9Pn/an/a
BacteriaPseudomonas Fragi 25Pn/an/a
BacteriaSerratia Proteamaculans 42Mn/an/a


2,6,6-trimethylcyclohexene-1-carbaldehyde

Mass-Spectra

Compound Details

Synonymous names
CYCLOCITRAL
MOQGCGNUWBPGTQ-UHFFFAOYSA-N
beta-Cyclocitral
b-cyclocitral
beta-Cyclocitral, analytical standard
AC1Q2EVL
2,6,6-Trimethylcyclohexenecarbaldehyde
alpha(beta)-Cyclocitral
AC1Q6A3S
AC1L1U2D
.beta.-Cyclocitral
UNII-GLL5338RMI component MOQGCGNUWBPGTQ-UHFFFAOYSA-N
beta-Cyclocitral, >=95%
SCHEMBL309759
C20425
77Y0U2X29G
OR270685
CHEMBL1952257
DTXSID7047142
OR278840
2,6,6-Trimethyl-1-cyclohexenecarboxaldehyde
ACM432257
OR021847
ZINC5766948
CHEBI:53177
UNII-77Y0U2X29G
2,6,6-trimethylcyclohex-1-enecarbaldehyde
2,6,6-Trimethylcyclohexene-1-carbaldehyde
Cyclohexenecarboxaldehyde, 2,6,6-trimethyl-
KB-47960
AN-23446
FCH1119403
DSSTox_GSID_47142
SC-21217
DSSTox_CID_27142
C-54900
DSSTox_RID_82149
MFCD00079078
ST50824363
2,6,6-trimethyl-cyclohexene-1-carboxaldehyde
ACM52844210
AI3-37227
W-202757
2,6,6-trimethyl-cyclohexene-1-carbaldehyde
AKOS022504751
FT-0665336
Tox21_302524
432-25-7
3B1-005322
2,6,6-TRIMETHYL-1-CYCLOHEXENE-1-CARBOXALDEHYDE
MCULE-7819289735
NCGC00256741-01
2,6,6-trimethylcyclohex-1-ene-1-carbaldehyde
2,6,6-Trimethyl-1-cyclohexene-1-carbaldehyde
2,6,6-Trimethyl-1-cyclohexen-1-carboxaldehyde
EINECS 258-219-4
EINECS 207-081-3
CAS-432-25-7
1-Formyl-2,6,6-trimethyl-1-cyclohexene
2,6,6-Trimethyl-1-cyclohexene-1-carbaldehyde #
MolPort-001-794-308
1-Cyclohexene-1-carboxaldehyde, 2,6,6-trimethyl-
InChI=1/C10H16O/c1-8-5-4-6-10(2,3)9(8)7-11/h7H,4-6H2,1-3H
IUPAC name2,6,6-trimethylcyclohexene-1-carbaldehyde
SMILESCC1=C(C(CCC1)(C)C)C=O
InchiInChI=1S/C10H16O/c1-8-5-4-6-10(2,3)9(8)7-11/h7H,4-6H2,1-3H3
FormulaC10H16O
PubChem ID9895
Molweight152.237
LogP2.41
Atoms27
Bonds27
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationTerpenes Aldehydes Alkenes

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaBiofilms A (Rivularia Sp./Calothrix Parietina Community)n/aHoeckelmann et al., 2004
BacteriaCalothrix Parietina PCC 6303n/aHoeckelmann et al., 2004
BacteriaCalothrix Spp.n/aSchulz and Dickschat, 2007
BacteriaCyanobacterian/aHoeckelmann et al., 2004
BacteriaPhormidium Sp.n/aHoeckelmann et al., 2004
BacteriaPlectoneman/aSchulz and Dickschat, 2007
BacteriaPlectonema Notatumn/aHoeckelmann et al., 2004
BacteriaPlectonema Sp.n/aHoeckelmann et al., 2004
BacteriaRivularia Sp.n/aHoeckelmann et al., 2004
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaBiofilms A (Rivularia Sp./Calothrix Parietina Community)n/an/a
BacteriaCalothrix Parietina PCC 6303n/an/a
BacteriaCalothrix Spp.n/an/a
BacteriaCyanobacterian/an/a
BacteriaPhormidium Sp.n/an/a
BacteriaPlectoneman/an/a
BacteriaPlectonema Notatumn/an/a
BacteriaPlectonema Sp.n/an/a
BacteriaRivularia Sp.n/an/a


4,6,6-trimethylbicyclo[3.1.1]heptan-4-ol

Mass-Spectra

Compound Details

Synonymous names
YYWZKGZIIKPPJZ-UHFFFAOYSA-N
Pinanol
Pinene hydrate
AC1Q7ASB
AC1L1UJT
2-PINANOL
trans-2-Pinanol
cis-2-Pinanol
PINANOL 85
Pinan-2beta-ol
.beta.-Pinene hydroxide
CTK8D5638
Pinan-2-alpha-ol
trans-Pinan-2-ol
(E)-Pinene hydrate
SCHEMBL221185
HSDB 5663
OR273523
DTXSID5029180
NSC 2326
STK055118
OR040923
OR272523
2-Pinanol, trans-
AN-23478
LS-43685
2-Pinanol, cis-
AN-19849
Caswell No. 663L
AKOS005385976
(E)-Pinan-2-ol
2,6,6-trimethylnorpinan-2-ol
473-54-1
4948-28-1
4948-29-2
MCULE-3492640045
EINECS 207-466-6
EINECS 225-591-4
112574-21-7
MolPort-003-855-454
2,6,6-Trimethylbicyclo[3.1.1]heptan-2-ol
2,6,6-Trimethylbicyclo(3.1.1)heptane-3-ol
4,6,6-trimethylbicyclo[3.1.1]heptan-4-ol
Bicyclo[3.1.1]heptan-2-ol, 2,6,6-trimethyl-
Bicyclo(3.1.1)heptan-2-ol, 2,6,6-trimethyl-
(1alpha,2alpha,5alpha)-2,2,6-Trimethylbicyclo(3.1.1)heptan-2-ol
2,6,6-Trimethylbicyclo(3.1.1)heptan-2-ol, (1alpha,2beta,5alpha)-
2,6,6-Trimethylbicyclo(3.1.1)heptan-2-ol, (1alpha,2alpha,5alpha)-
(1-alpha,2-alpha,5-alpha)-2,6,6-Trimethylbicyclo(3.1.1)heptan-2-ol
Bicyclo(3.1.1)heptan-2-ol, 2,6,6-trimethyl-, (1alpha,2alpha,5alpha)-
2,6,6-Trimethylbicyclo[3.1.1]heptan-2-ol-, (1R,2R,5S)-rel-
Bicyclo[3.1.1]heptan-2-ol, 2,6,6-trimethyl-, (1?,2?,5?)-
Bicyclo[3.1.1]heptan-2-ol, 2,6,6-trimethyl-, (1R,2S,5S)-rel-
Bicyclo[3.1.1]heptan-2-ol, 2,6,6-trimethyl-, (1R,2R,5S)-rel-
Bicyclo(3.1.1)heptan-2-ol, 2,6,6-trimethyl-, (1R,2S,5S)-rel-
Bicyclo(3.1.1)heptan-2-ol, 2,6,6-trimethyl-, (1R,2R,5S)-rel-
Bicyclo(3.1.1)heptan-2-ol, 2,6,6-trimethyl-, (1-alpha,2-alpha,5-alpha)-
2,6,6-Trimethylbicyclo(3.1.1)heptan-2-ol, (1.alpha.,2.beta.,5.alpha.)-
Bicyclo(3.1.1)heptan-2-ol, 2,6,6-trimethyl-, (1alpha,2beta,5alpha)- (9CI)
IUPAC name4,6,6-trimethylbicyclo[3.1.1]heptan-4-ol
SMILESCC1(C2CCC(C1C2)(C)O)C
InchiInChI=1S/C10H18O/c1-9(2)7-4-5-10(3,11)8(9)6-7/h7-8,11H,4-6H2,1-3H3
FormulaC10H18O
PubChem ID10128
Molweight154.253
LogP1.89
Atoms29
Bonds30
H-bond Acceptor1
H-bond Donor1
Chemical ClassificationTerpenes Alcohols

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaNannocystis Exedens Subsp. Cinnabarina Na C29n/aDickschat et al., 2007
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaNannocystis Exedens Subsp. Cinnabarina Na C29n/an/a


1,6-dimethyl-4-propan-2-yl-1,2,3,4-tetrahydronaphthalene

Compound Details

Synonymous names
CALAMENENE
PGTJIOWQJWHTJJ-UHFFFAOYSA-N
Calamenene II
Calamenene I
AC1L1UQT
AC1Q1GP3
CTK2F5759
(E)-Calamene
1,6-DIMETHYL-4-ISOPROPYLTETRALIN
4-Isopropyl-1,6-dimethyltetralin
(-)-Calamenene
OR105992
OR050362
CHEBI:88799
DTXSID20862006
KB-216176
483-77-2
6617-49-8
22339-23-7
4-Isopropyl-1,6-dimethyl-1,2,3,4-tetrahydronaphthalene
1,2,3,4-Tetrahydro-1,6-dimethyl-4-isopropylnaphthalene
1,2,3,4-TETRAHYDRO-4-ISOPROPYL-1,6-DIMETHYLNAPHTHALENE
4-isopropyl-1,6-dimethyl-1,2,3,4-tetrahydro-naphthalene
1,6-dimethyl-4-propan-2-yl-1,2,3,4-tetrahydronaphthalene
1,2,3,4-Tetrahydro-1,6-dimethyl-4-(1-methylethyl)naphthalene
NAPHTHALENE,1,2,3,4-TETRAHYDRO-1,6-DIMETHYL-4-(1-METHYLETHYL)-
Naphthalene, 1,2,3,4-tetrahydro-1,6-dimethyl-4-(1-methylethyl)-
(1S-cis)-1,6-Dimethyl-4-(1-methylethyl)-1,2,3,4-tetrahydronaphthalene
NAPHTHALENE 1 2 3 4-TETRAHYDRO-1 6-DIMETHYL-4-(1-METHYLETHYL)- (1S 4S)-
IUPAC name1,6-dimethyl-4-propan-2-yl-1,2,3,4-tetrahydronaphthalene
SMILESCC1CCC(C2=C1C=CC(=C2)C)C(C)C
InchiInChI=1S/C15H22/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7,9-10,12-13H,6,8H2,1-4H3
FormulaC15H22
PubChem ID10224
Molweight202.341
LogP5.24
Atoms37
Bonds38
H-bond Acceptor0
H-bond Donor0
Chemical ClassificationTerpenes Benzenoids Bicyclo

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10267n/aDickschat et al., 2005_3
FungiPhoma Sp.n/aStrobel et al., 2014
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10267n/an/a
FungiPhoma Sp.n/aSolid phase microextraction (SPME)


6,10,14-trimethylpentadecan-2-one

Mass-Spectra

Compound Details

Synonymous names
Hexahydrofarnesylacetone
Hexahydrofarnezylacetone
Hexahydrofarnesyl acetone
Perhydrofarnesyl acetone
WHWDWIHXSPCOKZ-UHFFFAOYSA-N
Fitone
AC1L1V4Z
AC1Q5H6P
CTK4J2356
OR13502
SCHEMBL716506
36116P
SBB012620
ST049442
LP023176
STK761211
KB-85744
AN-21434
CC-29299
MFCD00065420
C-25231
ZERO/001268
ZX-AT021772
AKOS016347358
AKOS001727037
W-109084
502-69-2
6,10,14-Trimethylpentadecan-2-one
6,10,14-TRIMETHYL-2-PENTADECANONE
6,10,14-Trimethylpentadeca-2-one
MCULE-5164481361
EINECS 207-950-7
13955-74-3
16825-16-4
6,10,14-trimethyl-pentadecane-2-one
2-Pentadecanone,6,10,14-trimethyl-
2-pentadecanone, 6,10,14-trimethyl
MolPort-001-758-493
2-Pentadecanone, 6,10,14-trimethyl-
IUPAC name6,10,14-trimethylpentadecan-2-one
SMILESCC(C)CCCC(C)CCCC(C)CCCC(=O)C
InchiInChI=1S/C18H36O/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19/h15-17H,6-14H2,1-5H3
FormulaC18H36O
PubChem ID10408
Molweight268.485
LogP6.56
Atoms55
Bonds54
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationTerpenes Ketones

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaPseudomonas Syringae S22naphyllosphere of field-grown potato plantsHunziker et al., 2015
BacteriaStigmatella Aurantiacan/aSchulz and Dickschat, 2007
BacteriaStigmatella Aurantiaca Sg A15n/aDickschat et al., 2005_5
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaPseudomonas Syringae S22LB mediumGC/MSYes
BacteriaStigmatella Aurantiacan/an/a
BacteriaStigmatella Aurantiaca Sg A15n/an/a


4-methyl-1-propan-2-ylcyclohex-3-en-1-ol

Mass-Spectra

Compound Details

Synonymous names
Melaleucol
WRYLYDPHFGVWKC-UHFFFAOYSA-N
4-Carvomenthenol
Terpinenolu-4
Terpinenol-4
AC1Q2ODY
AC1L1WWJ
4-Terpinenol
Terpineol-4
4-Terpineol
L-4-terpineneol
dl-4-Terpineol
TERPINENE-4-OL
Terpinen-4-ol
L-4-terpineol
S145
Terpinen 4-ol, primary pharmaceutical reference standard
Terpin-4-ol
Terpene-4-ol
alpha-terpinen-4-ol
SCHEMBL22344
rac Terpinen-4-ol
CTK3J7764
M0319
4-Carvomenthenol (natural)
CHEMBL507795
L-terpinen-4-ol
HSDB 8264
CCRIS 9067
Terpinenolu-4 [Czech]
C17073
NSC147749
1-Terpinen-4-ol
OR040948
OR114584
1-Menthene-4-ol
DTXSID4044824
SBB071495
LS-2615
ST096089
CHEBI:78884
DSSTox_GSID_44824
AN-23698
SC-46918
DSSTox_RID_80505
1-para-Menthen-4-ol
DSSTox_CID_24824
MFCD00001562
NSC 147749
NSC-147749
RTR-019770
Terpin-4-en-1-ol
TR-019770
1-p-Menthen-4-ol
AKOS015903412
FT-0619472
FEMA No. 2248
BRN 1906603
I14-19182
para-Menth-1-en-4-ol
p-Menth-1-en-4-ol
Tox21_301785
562-74-3
4-Carvomenthenol, natural, >=95%, FG
MCULE-6511194668
1336-05-6
NCGC00256250-01
EINECS 209-235-5
4-Carvomenthenol, >=95%, FCC, FG
4-Methyl-1-isopropyl-3-cyclohexen-1-ol
1-isopropyl-4-methylcyclohex-3-en-1-ol
1-Methyl-4-isopropyl-1-cyclohexen-4-ol
CAS-562-74-3
EINECS 248-910-9
28219-82-1
(+/-)-4-Terpineol
1-isopropyl-4-methyl-cyclohex-3-en-1-ol
MolPort-003-959-981
4-methyl-1-(methylethyl)cyclohex-3-en-1-ol
4-methyl-1-propan-2-ylcyclohex-3-en-1-ol
(-)-p-Menth-1-en-4-ol
4-Methyl-1-(1-methylethyl)-3-cyclohexen-1-ol
1-(1-Methylethyl)-4-methyl-3-cyclohexen-1-ol
(-)-4-Hydroxy-4-isopropyl-1-methyl-1-cyclohexene
4-06-00-00250 (Beilstein Handbook Reference)
(+-)-p-Menth-1-en-4-ol
(-)-1-Isopropyl-4-methyl-3-cyclohexen-1-ol
4-Methyl-1-(propan-2-yl)cyclohex-3-en-1-ol
1-Isopropyl-4-methyl-3-cyclohexen-1-ol, (R)-
(+/-)-p-Menth-1-en-4-ol
3-CYCLOHEXEN-1-OL; 4-METHYL-1-(1-METHYLETHYL)-
3-Cyclohexen-1-ol, 4-methyl-1-(1-methylethyl)-
(+/-)-4-Hydroxy-4-isopropyl-1-methyl-1-cyclohexene
(1)-1-(Isopropyl)-4-methylcyclohex-3-en-1-ol
(+/-)-1-Isopropyl-4-methyl-3-cyclohexen-1-ol
IUPAC name4-methyl-1-propan-2-ylcyclohex-3-en-1-ol
SMILESCC1=CCC(CC1)(C(C)C)O
InchiInChI=1S/C10H18O/c1-8(2)10(11)6-4-9(3)5-7-10/h4,8,11H,5-7H2,1-3H3
FormulaC10H18O
PubChem ID11230
Molweight154.253
LogP2.33
Atoms29
Bonds29
H-bond Acceptor1
H-bond Donor1
Chemical ClassificationTerpenes Alcohols Alkenes

mVOC Specific Details

Boiling Point
DegreeReference
209 deg CLide, D.R., G.W.A. Milne (eds.). Handbook of Data on Organic Compounds. Volume I. 3rd ed. CRC Press, Inc. Boca Raton ,FL. 1994., p. V3: 2311
Volatilization
The Henry's Law constant for 4-terpineol is estimated as 3.2X10-6 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that 4-terpineol 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 15 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)(2) is estimated as 110 days(SRC). 4-Terpineol's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). 4-Terpineol is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 0.04 mm Hg(SRC), determined from a fragment constant method(1).
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of July 22, 2015: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990)
Solubility
In water, 3.87X10+2 mg/L at 25 deg C (est)
Literature: US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of July 22, 2015: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm
Soil Adsorption
Using a structure estimation method based on molecular connectivity indices(1), the Koc of 4-terpineol can be estimated to be 80(SRC). According to a classification scheme(2), this estimated Koc value suggests that 4-terpineol is expected to have high mobility in soil.
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of July 22, 2015: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (2) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
0.04 mm Hg at 25 deg C (est)US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of July 22, 2015: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm
MS-Links
1D-NMR-Links

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
FungiAntrodia Cinnamomea ATCC 200183nanaLu et al., 2014
BacteriaStigmatella Aurantiaca DW4/3-1n/aDickschat et al., 2005_5
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10063n/aDickschat et al., 2005_3
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10267n/aDickschat et al., 2005_3
FungiGanoderma Lucidumnasaprophytic on deciduous treesZiegenbein et al., 2006
Method


6,6-dimethyl-4-methylidenebicyclo[3.1.1]heptane

Mass-Spectra

Compound Details

Synonymous names
Pseudopinene
Terebenthene
Pseudopinen
Terbenthene
Nopinene
Rosemarel
WTARULDDTDQWMU-UHFFFAOYSA-N
Nopinen
beta-Pinene homopolymer
beta pinene
BETA-PINENE
ss-Pinene
AC1Q2AIT
B-pinene
beta-Pinene resin
PINENE, BETA
AC1L24RF
I943
Piccolyte 115
.beta.-Pinene
beta-Pinene (natural)
P0441
6,6-Dimethyl-2-methylenenorpinane
CHEMBL501351
laevo-.beta.-Pinene
NSC21447
NSC59190
Beta Pinene 95 PF
Beta Pinene PF 85%
Beta Pinene PF 95%
Beta Pinene T 85%
Beta Pinene T 95%
C09882
HSDB 5615
AK113983
BT000141
DTXSID7027049
Jsp001748
L-.beta.-Pinene
LS-3052
NSC406265
OR025387
OR211823
OR213994
SBB061306
CHEBI:50025
DSSTox_CID_7049
( inverted exclamation markA)-b-pinene
6,6-dimethyl-2-methylene-norpinane
AB1006761
AN-18767
AN-23009
DSSTox_GSID_27049
EBD2156726
NSC 21447
NSC-21447
NSC-59190
SC-48739
D-alpha-PINENE, 95%
DSSTox_RID_78293
2(10)-Pinene
AI3-24483
NSC-406265
ST50330587
AKOS004119987
(-)-b-Pinene
4CH-024531
FEMA No. 2903
FT-0604382
FT-0622936
I14-45220
Pin-2(10)-ene
Tox21_200029
127-91-3
9081-94-1
NCGC00248498-01
NCGC00257583-01
(-)-.beta.-Pinene
CAS-127-91-3
EINECS 204-872-5
EINECS 245-424-9
25719-60-2
37203-45-5
39475-62-2
50922-56-0
51273-99-5
55963-81-0
55963-82-1
59828-47-6
59828-48-7
60976-31-0
211108-08-6
(+)-I(2)-Pinene
MolPort-004-956-468
6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane
6,6-dimethyl-4-methylidenebicyclo[3.1.1]heptane
6,6-Dimethyl-2-methylenebicyclo(3.1.1)heptane
6,6-Dimethyl-2-methylenebicyclo[3.1.1]heptane
(1S)-(-)-b-Pinene
(-)-2(10)-Pinene
Bicyclo[3.1.1]heptane,6-dimethyl-2-methylene-
2,6-Trimethylbicyclo[3.1.1]hept-2-ene
6,6-Dimethyl-2-methylene-bicyclo(3.1.1)heptane
(-)-Pin-2(10)-ene
.beta.-Pinene-(1S)-(-)
(1S)-(-)-.beta.-Pinene
(1S,5S)-2-(10)-Pinene
2,2,6-Trimethylbicyclo(3.1.1)hept-2-ene
Bicyclo(3.1.1)heptane, 6,6-dimethyl-2-methylene-
Bicyclo[3.1.1]heptane, 6,6-dimethyl-2-methylene-
(1)-6,6-Dimethyl-2-methylenebicyclo(3.1.1)heptane
BICYCLO(3.1.1)HEPTANE, 6,6-DIMETHYL-2-METHYLENE-, HOMOPOLYMER
(1S,5S)-6,6-Dimethyl-2-methylenebicyclo[3.1.1] heptane
6,6-Dimethyl-2-methylenebicyclo[3.1.1]heptane-, (S)-
2(10)-Pinene, (1S,5S)-(-)-
Bicyclo[3.1.1]heptane, 6,6-dimethyl-2-methylene-, (1S)-
Bicyclo(3.1.1)heptane, 6,6-dimethyl-2-methylene-, (1S,5S)-
Bicyclo[3.1.1]heptane, 6,6-dimethyl-2-methylene-, (1S,5S)-
2(10)-Pinene; 6,6-Dimethyl-2-methylenebicyclo[3.1.1]heptane; Pin-2(10)-ene
IUPAC name6,6-dimethyl-4-methylidenebicyclo[3.1.1]heptane
SMILESCC1(C2CCC(=C)C1C2)C
InchiInChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3
FormulaC10H16
PubChem ID14896
Molweight136.238
LogP2.86
Atoms26
Bonds27
H-bond Acceptor0
H-bond Donor0
Chemical ClassificationTerpenes Ketones Bicyclo Alkane

mVOC Specific Details

Boiling Point
DegreeReference
166 deg CLide, D.R. CRC Handbook of Chemistry and Physics 86TH Edition 2005-2006. CRC Press, Taylor & Francis, Boca Raton, FL 2005, p. 3-436
Volatilization
The Henry's Law constant for beta-pinene is estimated as 0.16 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that beta-pinene is expected to volatilize rapidly 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 3 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 5 days(SRC). beta-Pinene'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 340 days when adsorption is considered(3). beta-Pinene is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 2.93 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; Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, DC: Taylor and Francis (1989)
Solubility
ALMOST INSOL IN PROPYLENE GLYCOL
Literature: Fenaroli's Handbook of Flavor Ingredients. Volume 2. Edited, translated, and revised by T.E. Furia and N. Bellanca. 2nd ed. Cleveland: The Chemical Rubber Co., 1975., p. 486
Literature: #Soluble in benzene, ethanol and ethyl ether
Literature: Lide, D.R. CRC Handbook of Chemistry and Physics 86TH Edition 2005-2006. CRC Press, Taylor & Francis, Boca Raton, FL 2005, p. 3-436
Literature: #Soluble in alcohol and chloroform
Literature: O'Neil, M.J. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. Whitehouse Station, NJ: Merck and Co., Inc., 2006., p. 1283
Literature: #In water, 4.89 mg/L at 25 deg C (est)
Literature: US EPA; Estimation Program Interface (EPI) Suite. Ver.3.12. Nov 30, 2004. Available from, as of Sept 24, 2008: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm
Soil Adsorption
The Koc of beta-pinene is estimated as 4,400(SRC), using a log Kow of 4.16(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that beta-pinene is expected to have slight mobility in soil.
Literature: The Koc of beta-pinene is estimated as 4,400(SRC), using a log Kow of 4.16(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that beta-pinene is expected to have slight mobility in soil.
Vapor Pressure
PressureReference
2.93 mm Hg at 25 deg CDaubert, 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
FungiAntrodia Cinnamomea ATCC 200183nanaLu et al., 2014
BacteriaCollimonas Fungivorans Ter331n/aGarbeva et al., 2013
BacteriaCollimonas Pratensis Ter91n/aGarbeva et al., 2013
BacteriaStreptomyces Griseus Subsp. Griseus DSM 40236nasoilWilkins, 1996
FungiPenicillium Commune Pittnain dry-cured meat products, cheeseSunesson et al., 1995
BacteriaCollimonas Pratensis TER91narhizosphere of Marram grass in sandy dune soils, NetherlandsGarbeva et al., 2014
BacteriaPaenibacillus Sp. P4narhizosphere of Marram grass in sandy dune soils, NetherlandsGarbeva et al., 2014
BacteriaPedobacter Sp. V48narhizosphere of Marram grass in sandy dune soils, NetherlandsGarbeva et al., 2014
BacteriaSerratia Plymuthica PRI-2Cnamaize rhizosphere, NetherlandsGarbeva et al., 2014
BacteriaStreptococcus Mutans DSM 20523 as a biomarker for a breath test for detection of cariesHertel et al., 2015
BacteriaStreptomyces Griseusn/aSchulz and Dickschat, 2007
FungiAmanita OvoideaFranceBreheret et al. 1997
FungiGomphidius GlutinosusFranceBreheret et al. 1997
FungiMycena PuraFranceBreheret et al. 1997
FungiSuillus LuteusFranceBreheret et al. 1997
FungiTricholoma CaligatumFranceBreheret et al. 1997
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
FungiAntrodia Cinnamomea ATCC 200183PDAGC/MSYes
BacteriaCollimonas Fungivorans Ter331sand supplemented with artificial root exudatesHeadspace trapping/GC-MS
BacteriaCollimonas Pratensis Ter91sand supplemented with artificial root exudatesHeadspace trapping/GC-MS
BacteriaStreptomyces Griseus Subsp. Griseus DSM 40236Nutrient agar CM3GC/MS
FungiPenicillium Commune PittDG18GC/MS
BacteriaCollimonas Pratensis TER91sand containing artificial root exudatesGC/MSNo
BacteriaPaenibacillus Sp. P4sand containing artificial root exudatesGC/MSNo
BacteriaPedobacter Sp. V48sand containing artificial root exudatesGC/MSNo
BacteriaSerratia Plymuthica PRI-2Csand containing artificial root exudatesGC/MSNo
BacteriaStreptococcus Mutans DSM 20523Brain-Heart-Infusion agarTenaxâ„¢-trap/GC-MS
BacteriaStreptomyces Griseusn/an/a
FungiAmanita Ovoideaforest soilsolvent extraction, headspace, GCMSno
FungiGomphidius Glutinosusforest soilsolvent extraction, headspace, GCMSno
FungiMycena Puraforest soilsolvent extraction, headspace, GCMSno
FungiSuillus Luteusforest soilsolvent extraction, headspace, GCMSno
FungiTricholoma Caligatumforest soilsolvent extraction, headspace, GCMSno


(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol

Compound Details

Synonymous names
NOOLISFMXDJSKH-KXUCPTDWBX
Hexahydrothymol
Bentasil Blackcurrant
Eucalyptamint
Levomentholum
Menthacamphor
Menthomenthol
Racementholum
Thymomenthol
Biofreeze Colorless
Dynafreeze
Humphreys Bendito Alcoholado
Jakemans Peppermint
Levomenthol
levomentol
Meggezones Menthol Pastilles
Numotizine
Racementhol
Racementol
Therafreeze
Analgesic
Arthripain Relief
Besthealth Cherry
Besthealth Menthol
Bioactil
Bioflexor
Biofreeze
Broncolin Honey Eucalyptus
Celadrin
Fisherman's friend lozenges
Halls Butterscotch
Halls Mentholyptus
Hanbang Cataplasma
Headache crystals
Jakemans Blueberry
Keptrils
Keracare
Mediflex
Menthol racemique
Mobility Topical Analgesic
NOOLISFMXDJSKH-KXUCPTDWSA-
NOOLISFMXDJSKH-KXUCPTDWSA-N
Osmoflex
Peppermint camphor
Quickflex
Revalife
Superior Analgesic
Topcare Medicated
Arthritis Relief
Aspercreme Heat
Avapta
Coldaid
Flexgen
Fluaid
Halls Spearmint
Halls Strawberry
Honibe
Icyhot Medicated
Jakemans Cherry
Kerasal
Lurosil
MENTHOL
menthol crystals
Menthol natural
Menthol racemic
Menthol solution
Muscle
Novarnica Moisturizing Foot Cream
Olbas Pastilles
Oneback
Pain Relieving Analgesic
Patch Walgreens
Perform
Racemic menthol
Sorgon
Theraid
Therapeutic Relief Preferred Plus Pharmacy
Anc Neverpain External Analgesic
Arthri-support
Atopalm Pain Relieving
Avedana Pain-relieving
Barox
Besthealth Honey Lemon
Body
Celestial Seasonings Herbal Throat Drops
Easy
Flanax Honey Eucalyptus
Flexall Pain Relieving
Halls Menthol
Herbion Naturals Orange
Hielo Ardiente
Huitomi Slimming Sports
Ice Analgesic
Jointflex Ice
Laevo-Menthol
Linkus Lozenges Cough Suppressant/oral Anesthetic
Medique Medikoff Drops
Menthol Fresh Cough Suppressant
Nice Assorted
Olbas Lozenges Maximun Strength
Pain Relieving
Patch
Reactice Reactivating Ice Baume
Screamin Menthol Toast
Sella Natural
Stopain Cold Professional Strength Pain Relieving
Strawberry Cough Drops
Youngevity Invision Cm
Absorbine Back Therapeutic Pain Relief
Absorbine Jr
Algomend Pain Relief
Arctic Ice Analgesic
Bama Freeze
Berri-freez
Bioblast Pain Relief
Cold Therapy
Coralite Pain Relief
Cvs Pomegranate Cough
Cvs Watermelon Cough
d-Neomenthol
dextro,laevo-menthol
Equate Menthol Extra Strength
Fast Freeze
Flexall Ice
Good Neighbor Pharmacy Therapeutic Blue
Goose Grease
Green Bamboo
Halls Cherry
Halls Honey
Halls Ice Peppermint
Halls Plus Strawberry
Halls Tropical Fruit
Hallsmelon Splash Melon Splash
Ice External Analgesic Leader
Ice Therapy
Kool Comfort
Marathon Pain Relief Topical Analgesic
Maximum Strength Medicated Foot Powder
Medicated Foot Powder
Medicated Pain Relief
Meditowel Pain Relief
Menthol Crystals USP
Mentholatum Pain Relief Extra Strength
Myo-breathe
Myorx Pain Relieving
Nice Cherry
Nice Citrus
Nice Menthol
Odeur Senior Premium Cleanser
Pain Relieving Patch
Panitrol XR
Patch Kroger
Perfect Purity Hotice
Power Relief
rac-Menthol
Sofskin Ice Analgesic
Throat Coat
Wellpatch Backache Pain Relief
Arnica Pain Relief
Artico Ice
Assured Menthol Relief Stick
Assured Muscle Rub
Bentasil Sugar Free Blackcurrant Soft Texture
Biofreeze Colorless Roll-ON
Biorelief Ice Pain Relieving
Blue Ice Analgesic
Budpack Muscle Rub
Cepacol Sore Throat Regular Strength
Chriology Relax Up
Cough Lozenges Spearmint Menthol USP
Counteract Cough Drops Orchard Cherry
Cryogel Island Rain Natural Pain Relieving Vitaminerals
Cvs Therapeutic Menthol Gel
Cvs Therapeutic Menthol Pain Reliever
Dentek Canker Cover
Efac Pain Relieving
Eucerin Calming Itch Relief Treatment
Gold Bond Original Strength
Halls Melon Splash
Halls Mentho-lyptus
Halls Naturals Honey Lemon Chamomile
Harmon Extra Strength Pain Relieving
Health Smart Medicated Foot
Herbion Naturals Honey Lemon
I-menthol
Ice Cold Analgesic
Ice Quake
l-Menthol
Ludens Original Menthol Throat Drops
Medic Ice
Miracle Foot Repair
Miracle Pain Cream
Moore Medical Cherry Cough Suppressant/anesthetic Drops
Muscle Rub
Natural Pain Relieving Lavender Breeze Cryogel
Natures Sunshine Products Everflex Topical Analgesic Pain Relief
Novum Apr
Oxyrub Pain Relief
Pain Goodbye Medicated Cream
Patch Scherer Labs
Perfect Purity Medicated Foot Powder
Physi-cold
Relief Pain Relieving Cream
Rexall Vanishing Scent Pain Relieving
Sombra Cool Therapy
Stopain Cold Pain Relieving
Stopain Extra Strength Pain Relieving
Top Care Medicated
Ultra Strength Stopain Pain Relieving
Ultracin M
Vicks Vapodrops Cough Relief
Walgreens Aloe Vera Cooling
Watermelon Frost Sore Throat
AC1Q2QQM
Aloemint Skin Aid
Amar Ice
Army Health Pain Reliever
Arthri-zen Relief
Assured Ice Cold Topical Analgesic
Bengay Extra Strength Ice
Bengay Ultra Strength Regular Size
Bio-scriptives Extreme Pr
Biofreeze Roll-ON
Blue Ice
Broncolin Herbal Extracts and Honey
Budpak Muscle Rub
Canker Complete Canker Sore Relief
Cooling Epsom Rub
Counteract Cough Drops Honey Lemon
Cvs Tropical Citrus Cough
Dg Health Extra Strength Medicated
Dual Action Cherry Cough Suppressant Oral Anesthetic
Ecolyptus Pain Relieving Muscle Rub
Elgin Pain Relief
Extra Strength Pain Relief Therapy
Halls Apple Cider
Halls Extra Strong Menthol
Halls Honey Lemon
Halls Mint Bliss
Halls Mocha Mint
Halls Plus Cherry
Halls Plus Honey
Herbion Naturals Orange Cough Drops
Icy Blue
Icy Cool Maximum Strength
Icy Hot
Icy Hot Medicated
Icy Hot Naturals
Kpp Triple Action
Lander Polar Ice
Ludens Honey Licorice Throat Drops
Makesense Extra Strength Muscle Rub
Maxfit Freeze Gel
Meijer Cherry Cough Drops
Meijer Menthol Cough Drops
Menthol natural, brazilian
Mentholatum Sports Pain Relief Cold
Mineral Ice Pain Relieving
Miracle Foot Repair Cream
Moisture Therapy Anti-itch
Muscle and Joint
Nice Honey Lemon
North Cough Drop
Pain Relief Therapy Patch
Pain Relieving Patch Ultra Strength
Phoenix Kineticream Anti-inflammatory and Pain Relief
Polar Frost Cold
Premier Value Medicated Foot Powder
Raw Heat
Raw Ice
Soothing Ice Rub
Soothing Menthol Lip Care
Sugar Free Cherry Fishermans Friend Menthol Cough Suppressant
Sugar Free Refreshing Mint Fishermans Friend Menthol Cough Suppressant
Warming Epsom Rub
1R-Menthol
Absorbine Jr Ultra Strength Pain Relieving
Alhua Huogan Pain Relieving Patch
Atopalm Muscle and Joint
Babyganics Cold Relief Chest Rub
Barox Body Care Massage
Bengay Ultra Strength Large Size
Bengay Zero Degrees Menthol Pain Relieving
Besthealth Cough Suppressant Sugar Free Black Cherry Flavor
Blistex Ivarest Medicated Poison Ivy Cleansing Foam
Blue Gel Pain Relieving
Blue Ice Pain Relieving
Careall Musle and Joint
Cold Hot Patch
Cvs Soothing Itch Relief
Cvs Ultra Strength Pain Relieving
Dg Health Pain Relieving
Eez-away Relief
Equaline Blue Ice Pain Relieving
Evels Secret Natural Pain Relief Daredevil Strength
Extra Strength Stopain Cold Pain Relieving
Gold Bond Extra Strength
Gold Bond Medicated Foot
Halls Sugar Free Mountain Menthol
Herbion Naturals Mint Cough Drops
Icy Hot Advanced Relief
Icy Hot Vanishing Scent
Leader Cough Drops Cherry Flavor
Leader Cough Drops Menthol Flavor
Medique Sugar Free Medikoff Drops
Natural Herb Cough Drop
Nice Cool Mint
Original Extra Strong All Natural Fishermans Friend Menthol Cough Suppressant
Pain Relieving Patch Ultra Strength Ultra Strength
Red Lion Relief
Rugby Ice Blue External Analgesic
Smith Bros Menthol Eucalyptus Cough Drops
Walgreen Vanishing Scent Muscle and Joint
Yun Xiang Jing
Zims Arnica Max
1-Menthol
Absorbine Jr.
Activon Ultra Strength Joint and Muscle
Bengay Pain Relief and Massage
Bengay Ultra Strength Pain Relieving Regular Size
Bentasil Sugar Free Cherry Soft Texture
Besthealth Cough Suppressant Sugar Free Honey Lemon Flavor
Blue Ice Analgesic Gel
Celadrin Joint and Muscle Pain Relieving
Choice Personal Care Theraputic Blue Ice
Cold and Hot
Cold and Hot Medicated
Cold Spot Point Relief
Coralite Cold and Hot
Cvs Cold Hot Medicated
Cvs Vanishing Scent Muscle Rub
Dg Ice Cold Analgesic
Diapedic Foot and Leg Treatment
Dt Ice Cold Analgesic
Dual Action Honey Lemon Cough Suppressant Oral Anesthetic
Eros Iron Man
Extra Strength With Natural Menthol Glacier Mint Cough Suppressant
Han Honey Loquat Syrup
Herbion Naturals Honey Lemon Cough Drops
Herbion Naturals Honey-lemon Cough Drops
Hot Ice Soothing Analgesic Gel
Ice Cold Topical Analgesic Gel
Icy Hot Back
Joint and Muscle Pain
Leader Cough Drops Honey Lemon
Leader Extra Strength Medicated Pain Relief Patch
Low Sugar Cherry Flavor Fishermans Friend Menthol Cough Suppressant
Ludens Honey Lemon Throat Drops
Meijer Honey Lemon Cough Drops
Moore Medical Sugar Free Menthol Cough Suppressant/anesthetic Drops
Mr Dudleys Topical Pain Relief
Muscle and Joint Vanishing Scent Fast Penetrating
Muscle Rub Ultra Strength Pain Relieving
Natural Honey Herb Cough Suppressant Throat Drops
Perform Cool and Soothing Pain Relieving
Personal Care Ice Cold
Quality Choice Muscle and Joint
Real Time Pain Relief Topical Analgesic
Soothing Ice Rub Analgesic Gel
The Medicine Shoppe Extra Strength Pain Relieving
Therapeutic Icy Cold Cooling Pain Relief
Throat and Chest Berry Menthol
Vanishing Scent Muscle Rub Gel
Vitaminerals Inc. Cryogel Natural Pain Relieving
Xtracare Ice Cold Topical Analgesic Gel
Absorbine Jr Plus Ultra Strength Pain
AC1L1B2E
AC1L28FR
AC1Q1NQ2
Aurorae Healing Pain Relieving Roll-ON
Avon Healthy Remedies Menthol Celadrin Pain Relief Cream
Being Well Extra Strength Menthol Heat
Ben-gay Ice
Bengay Ultra Strength Pain Relieving Large Size
d,l-Menthol
Double Prawn Brand Herbal Oil
Equaline Cold and Hot Medicated Large
Equaline Cold and Hot Medicated Small
Gold Bond Pain Relieving Foot
Goodsense Extra Strength Cold and Hot Medicated
Green Guard Cough Drop Relief
Halls Sugar Free Black Cherry
Halls Sugar Free Citrus Blend
Halls Sugar Free Extra Strong Menthol
Halls Sugar Free Honey Berry
Halls Sugar Free Honey Lemon
Herbion Naturals Orange Cough Drops Sugar Free
Ice Quake Muscle Rub
Icy Hot Medicated Roll Large
Icy Hot Medicated Roll Medium
Imada Four Seasons Safe Analgesic Balm
K2 Cold Therapy
Kay Medic Menthol Pain Relief
Medi-first Cherry Cough Drops
Meijer Cold and Hot Medicated
Myorx Low Dose Pain Relieving
Natural Cherry Honey Herb Throat Drops
Natural Honey Lemon With Echinacea Cough Suppressant Throat Drops
Obus Form Therapeutic Ice Gel
Oxy Rub Pain Relief
Personal Care Extra Strength Cold Hot
Po Sum On Medicated
Sub-zero Cool Pain Relieving
Sugar Free Mountain Herb Cough Suppressant Throat Drops
The Original Natural Herb Cough Drops
Tianhe Guben Yaoshen Tie Gao
Tibet Gigi Itch Relief Cream
Tra-kill tracheal mite killer
Zhong Hua Jiu Patch
3-p-Menthanol
Absorbine Jr. Back
Absorbine Jr. Plus
At One With Nature
Barox Body Care Massage Relax Refresh Revital
Bentasil Sugar Free Honey Lemon Soft Texture
BZ1R15MTK7
Careone Extra Strength Cold and Hot
Ching Wan Hung Soothing Herbal Balm
Coralite Extra Strength Cool and Hot
Cvs Sore Muscle Rub Vanishing Scent
Dr. Blue
Equate Cool and Heat Extra Strength
Family Care Muscle and Joint Vanishing Scent
Foot Works Achy Foot Massager Pain Relieving
Hallssugar Free Extra Sugar Free Extra Strong Menthol
Harmon Extra Strength Pain Relieving Roll-ON
Icy Hot Medicated No Mess Applicator
Icy Hot Power Gel
Kool Comfort Pain Relieving Roll-ON
Meijer Extra Strength Cold and Hot Medicated
Menthol racemique [French]
Moore Medical Sugar Free Black Cherry Cough Suppressant/anesthetic Drops
Natural Lemon Mint Herb Throat Drops
Natures Choice Cool Hot Ice
No Pain More Gain
Perform Cool and Soothing Pain Relieving Foot
PubChem7972
Q Health Pain Relief Spray
SCHEMBL4613
Sof Skin Icy Blue
Stressa Back and Neck Pain Relieving
Sugar Free Cherry Herb Throat Drops
White Real Time Pain Relief Topical Analgesic
3-p-Menthol
Assured Extra Strength Cold N Hot
Cold and Hot Pain Relief
Cooln Heat Micro Well At Walgreens
Dr. Carrasco Pain Relief
Eb302 Arthritis Relief
Flexall Muscle (original Strength)
GTPL2430
Herbion Naturals Honey Lemon Cough Drops Sugar Free
Icy Hot Medicated, Advanced Relief
Leader Sugar Free Cough Drops Black Cherry
Levomentholum [INN-Latin]
Medi First Plus Cherry Cough Drops
Mhs Boo Boo Balm
Mountain Herb Sugar Free With Stevia Cough Suppressant Oral Anesthetic
Mr Dudleys Topical Cycle Relief With Nutmeg
nchembio862-comp1
Racementholum [INN-Latin]
Racementol [INN-Spanish]
Smith Bros Honey Lemon Cough Drops
Sugar Free Original Swiss Herb Cough Suppressant Throat Drops
Throat and Chest Anise and Menthol
Weh-weh Pain Reliever Gel
Winco Extra Strength Cold and Hot Medicated
ARONIS27036
C10H20O
Cepacol Sore Throat From Post Nasal Drip
CID1254
Cold and Hot Medicated Pain Relief Large
Cold and Hot Medicated Pain Relief Small
Cold and Hot Pain Relief Sleeve
Cvs Extra Strength Cold and Hot Medicated
Dorflex Icy Hot Flexible, Large
Dorflex Icy Hot Flexible, Small
Eb301ap Pain Relief
Extra Strength Stopain Cold Pain Relieving Roll On
Family Wellness Cold and Hot Pain Relief
Fisherman's friend lozenges (TN)
Ice Gel Therapy 2%
Icy Hot Medicated, Back
Menthol (VAN)
Mhs Dit Da Jow
Nan San Easy Flex Pain Relieving
NSC2603
Rite Aid Cold and Hot Medicated
Smart Sense Cold and Hot Extra Strength Medicated
Studio 35 Medicated Body
Sugar Free Swiss Cherry Herb Throat Drops
Throat and Chest Chili and Lime
Throat and Chest Honey Lemon and Menthol
UNII-BZ1R15MTK7
UNII-L7T10EIP3A
(L)-MENTHOL
Aspercreme Max No Mess Roll On
Assured Cold N Hot Pain Relief Menthol
Bio 2 Brazilian Heat Brazilian Heat
CCRIS 375
Cool N Heat Well At Walgreens
CTK5H9748
Cvs Cold and Hot Medicated XL
Cvs Extra Strength Cold and Hot Medicated Patch
Deep Cold Arthritic Hand Lotion 2%
dl-3-p-Menthanol
Eb301ct Bruise Pain Relief
Extra Strength Cold N Hot Pain Relief Medicated
HMDB03352
HMS502I22
HSDB 593
Icy Hot Medicated Roll, Large
Icy Hot Medicated Roll, Medium
Icy Hot Medicated, XL
Kerasal PF-10
LA Jiao Feng Shi Gao
Levomenthol [INN:BAN]
M0321
M0545
Menthol, dl-
Menthol, l-
N1950
Perform Cool and Soothing Pain Relieving Roll-ON
Racementhol [INN:BAN]
Sound Body Extra Strength Cold and Hot Medicated
Sugar Free Green Tea With Echinacea Cough Suppressant Throat Drops
Sugar Free Lemon Mint Herb Throat Drops
Therapeutic Icy Cold Cooling Pain Relief Roll-ON
()-Menthol
CHEMBL256087
CHEMBL470670
CID16666
DB00825
Dorflex Icy Hot Flexible, XL
Gold Bond Pain Relieving Foot Roll On
Icy Hot Back and Large Areas
l-Menthol (natural)
LS-886
Maybelline New York Baby Lips Dr Rescue Medicated Balm
Menthol(-)
Miracle Of Aloe Rub Roll On
Myoflex Ice Cold Gel 5%
Myoflex Ice Cold-gel 4%
Natural Lemon Verbena With White Tea Herb Throat Drops
Nature's Relief 1222
NSC62788
p-Menthan-3-ol
Paraid Extra Strength Menthol Pain Relief Sleeve Knee Large Ankles Elbows
Qc Cold and Hot Pain Relief
Smith Bros Sugar-free Black Cherry Cough Drops
UNII-YS08XHA860 component NOOLISFMXDJSKH-KXUCPTDWSA-N
19863P
C00400
CCRIS 3728
CCRIS 4666
Celestial Seasonings Herbal Throat Drops - Golden Herbal Blend
D00064
D04849
D04918
Dr. Waltons Cool and Hot Analgesic
HMS1922G13
HMS2092L14
HSDB 5662
M2772_SIAL
Major Extra Strength Cold and Hot Pain Relief Therapy
SPECTRUM1503134
UNII-YS08XHA860
15785_RIEDEL
63670_ALDRICH
AK110724
AK158890
BS-3863
BT000186
Cool N Heat Patch for Back Extra Strength
Cyclohexanol, 2-isopropyl-5-methyl
DAP000876
DTXSID1022180
l-Menthol (TN)
LS-2353
Meloids Pwr 1.5%
Menthol, United States Pharmacopeia (USP) Reference Standard
MP-2129
NSC 2603
NSC-2603
NSC758395
OR012113
OR111542
OR382080
OR382082
Skin So Soft Bug Guard Plusitch Relief Itch Relief
STK802468
U.S.P. Menthol
Up and Up Hot and Cold Medicated
15785_SIAL
63660_FLUKA
63670_FLUKA
Blue Ice 2.5%
CHEBI:15409
Coralite Extra Strength Menthol Pain Relief Sleeve - Knee
Coralite Extra Strength Menthol Pain Relief Sleeve - Wrist
D008610
Direct Formulary Menthol Cough Loz 6.1mg
DSSTox_CID_2180
Icy Hot XL Back and Large Areas
L(-)-Menthol
NCI-C50000
RACEMIC MENTHOL U.S.P.
Rite Aid Extra Strength Pain Relief Cold and Hot Medicated
Spectrum_000305
W266507_ALDRICH
W266523_ALDRICH
W266590_ALDRICH
ZINC1482164
(-)-menthol
(-)-Menthyl alcohol
4-Isopropyl-1-methylcyclohexan-3-ol
551376_ALDRICH
588733_ALDRICH
613290_ALDRICH
AB1011830
AJ-26316
AN-20763
AR-1J3337
BSPBio_003062
CCG-40300
CJ-05091
CJ-23654
DSSTox_GSID_20805
DSSTox_GSID_22180
EBD2156737
Formula T.T.O. Honey Lozenges
Ice Gel 2.0%
KBioSS_000785
LS-57201
LS-89531
LS-89533
NSC 62788
NSC-62788
Paraid Extra Strength Menthol Pain Relief Sleeve Wrist and Small Ankles and Elbows
SC-02557
SC-18117
ST2407841
The Fresh Market Medicated Lip Balm Soothing With Menthol Eucalyptus Oil and Clove
(-)-Menthol, primary pharmaceutical reference standard
551376_FLUKA
613290_FLUKA
Artic Ice Analgesic Gel 2.5%
BB_NC-0057
BDBM50318482
CHEBI:545611
Direct Formulary Honey-lem. Menth. Cough Loz
DSSTox_RID_75798
DSSTox_RID_76516
Icy Hot Arm Neck Leg and Small Areas
L-Menthol, pharmaceutical secondary standard; traceable to USP and PhEur
MFCD00062979
NINDS_000820
Polar Ice Analgesic Gel 2.5%
Rock Sauce Chill (no Color)
SPBio_000869
Spectrum2_000855
Spectrum3_001561
Spectrum5_001060
Vicks Blue Throat Drops 0.3%
ZINC01482164
AI3-52408
Cyclohexanol, 2-isopropyl-5-methyl-
dl-Menthol (JP15)
Dr. Teals Pre and Post Workout Pain Relief
l-Menthol (JP15)
l-Menthol (JP17)
NSC-758395
TR-030715
Vicks Vaposyrup Liq 0.125%
(-)-Menthol, analytical standard
5-Methyl-2-(1-methylethyl)cyclohexanol
AKOS000119740
AKOS016842647
D-(-)-Menthol
DivK1c_000820
I06-1216
I14-7371
KBio1_000820
KBio2_000785
KBio2_003353
KBio2_005921
KBio3_002562
l-(-)-Menthol
Q-201316
(+-)-Menthol
BRN 1902288
BRN 3194263
FEMA No. 2665
IDI1_000820
Menthol Cough Lozenges - 6.1mg
MLS002207256
SMR001306785
89-78-1
Big V Cough Lozenges Cherry 6.1mg/loz
Big V Menthol Cough Lozenges 6.1mg/loz
Flex-all 454 10%
LMPR0102090001
Antiphlogistine Rub A-535 Ice Gel 4%
Flex-all 454 Gel 7%
Tox21_111620
Tox21_201823
Tox21_201919
Tox21_202608
Tox21_302999
Tox21_303028
(−)-Menthol
491-02-1
5-Methyl-2-(1-methylethyl)-cyclohexanol
Big V Honey-lemon Cough Lozenges 8.4mg/loz
Menthol,3,trans-1,4-
Vicks Blue Throat Drops Loz 0.307%
Z1698549655
(+/-)-Menthol
(1R,2S,5R)-Menthol
1-iso propyl-4-methyl cyclohexan-2-ol
CAS-89-78-1
Flex-all 454 16% Gel
Menthol, (1alpha,2beta,5alpha)-Isomer
2216-51-5
MCULE-8181548788
NCGC00159382-02
NCGC00159382-03
NCGC00164247-01
NCGC00164247-02
NCGC00164247-03
NCGC00256525-01
NCGC00256561-01
NCGC00259372-01
NCGC00259468-01
NCGC00260156-01
WLN: L6TJ AY1&1 BQ D1
(-)-trans-p-Menthan-cis-ol
5-methyl-2-propan-2-ylcyclohexan-1-ol
AB00052320_02
Cool N Heat Patch for Arm, Neck and Leg Extra Strength
EINECS 201-939-0
EINECS 207-724-8
EINECS 218-690-9
EINECS 239-387-8
EINECS 239-388-3
L-Menthol, 99% 50g
MENTHOL, (+)-neo-
(R)-(-)-Menthol
20747-49-3
98167-53-4
Honey-lemon Cough Lozenges - 8.4mg
L-Menthol, >=99%, FCC, FG
Pharmakon1600-01503134
SDCCGMLS-0066659.P001
Sooth X Creme - 1.25%
(-)-p-Menthan-3-ol
(+)-p-Menthan-3-ol
CAS-2216-51-5
EC 201-939-0
SR-05000001936
(1R)-(-)-Menthol
SBI-0051777.P002
(1R,2S,5R)-2-Isopropyl-5-methylcyclohexanol
Formula T.T. Lozenges - 3.0mg
MolPort-000-849-729
MolPort-001-793-392
L-Menthol, natural, >=99%, FCC, FG
(1R,2S,5R)-rel-2-Isopropyl-5-methylcyclohexanol
WLN: L6TJ AY1&1 DQ D1 -L
(-)-Menthol, USP, 97%
(1alpha,2beta,5alpha)-5-methyl-2(1-methylethyl)cyclohexanol
(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexanol
(1R,2S,5S)-2-Isopropyl-5-methyl-cyclohexanol
SR-05000001936-2
Menthol, trans-1,3,trans-1,4-
Menthol,3R,4S)-(-)-
Sport Cold - Gel - 2%
(+/-)-p-Menthan-3-ol
Menthol, cis-1,3,trans-1,4-
Menthol, cis-1,3,cis-1,4-
(1S,2R,5R)-(+)-Isomenthol
(-)-(1R,3R,4S)-Menthol
(1r,2s,5r)-(-)-menthol
(1R,2S,5R)-2-isopropyl-5-methylcyclohexan-1-ol
(1R,3R,4S)-(-)-MENTHOL
Menthol, (.+/-.)-
2-06-00-00052 (Beilstein Handbook Reference)
4-06-00-00151 (Beilstein Handbook Reference)
(+-)-(1R*,3R*,4S*)-Menthol
(1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexanol
2-Isopropyl-5-methylcyclohexanol-, (1R,2S,5R)- #
5-Methyl-2-(1-methylethyl)cyclohexanol, (1alpha,2beta,5alpha)-
cis-1,3-trans-1,4-(+-)-menthol
Cyclohexanol, (1.alpha.,2.beta.,5.alpha.)-
Menthol, (1R,3R,4S)-(-)-
Menthol, (1S,3S,4R)-(+)-
(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol
cis-1 ,3-trans-1,4-(+-)-menthol
6C6A4A8C-A054-468C-A1F0-F29E39838CF2
(1R,2S,5R)-(-)-Menthol, >=99%, sublimed
(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexan-1-ol
Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1alpha,2beta,5alpha)-
(1R,2S,5R)-5-methyl-2-(propan-2-yl)cyclohexan-1-ol
(1R,2S,5R)-(-)-Menthol, ReagentPlus(R), 99%
Cyclohexanol, [1R-(1.alpha.,2.beta.,5.alpha.)]-
(1R-(1-alpha,2-beta,5-alpha))-5-Methyl-2-(1-methylethyl)cyclohexanol
Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1R,2S,5R)-
Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1R,3R,4S)-
(1R,2S,5R)-(-)-Menthol, Vetec(TM) reagent grade, 98%
Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1R,2S,5R)-rel-
Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1R-(1alpha,2alpha,5beta))-
Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1R-(1alpha,2beta,5alpha))-
(1R-(1-.alpha.,2-.beta.,5-.alpha.))-5-Methyl-2-(1-methylethyl)cyclohexanol
(-)-Menthol, puriss., meets analytical specification of Ph. Eur., BP, USP, 98.0-102.0%
Cyclohexanol, 5-methyl-2-(1-methylethyl)-, [1R-(1.alpha.,2.beta.,5.alpha.)]-
(1R,2S,5R)-2-Isopropyl-5-methylcyclohexanol; 5-Methyl-2-(1-methylethyl)cyclohexanol; (-)-p-Menthan-3-ol; (1R,2S,5R)-(?)-Menthol
InChI=1/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3/t8-,9+,10-/m1/s1
IUPAC name(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol
SMILESCC1CCC(C(C1)O)C(C)C
InchiInChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3/t8-,9+,10-/m1/s1
FormulaC10H20O
PubChem ID16666
Molweight156.269
LogP2.66
Atoms31
Bonds31
H-bond Acceptor1
H-bond Donor1
Chemical ClassificationTerpenes Alcohols

mVOC Specific Details

Volatilization
The Henry's Law constant for L-menthol is estimated as 1.5X10-5 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that L-menthol 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 approximately 2 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)(2) is estimated as approximately 18 days(SRC). L-Menthol's Henry's Law constant(1,SRC) indicates that volatilization from moist soil surfaces may occur(SRC). L-Menthol is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 0.064 mm Hg at 25 deg C(3).
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) Perry RH, Green D; Perry's Chemical Handbook 6th ed. NY,NY: McGraw-Hill (1984)
Soil Adsorption
The Koc of L-menthol is estimated as approximately 1,500(SRC), using a log Kow of 3.3(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that L-menthol is expected to have low mobility in soil(SRC).
Literature: (1) Chemicals Inspection and Testing Institute; Japan Chemical Industry Ecology - Toxicology and Information Center. ISBN 4-89074-101-1 (1992) (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)
MS-Links
1D-NMR-Links

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaStigmatella Aurantiacan/aSchulz and Dickschat, 2007
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaStigmatella Aurantiacan/an/a


3,4,7,7-tetramethylbicyclo[2.2.1]heptan-3-ol

Mass-Spectra

Compound Details

Synonymous names
LFYXNXGVLGKVCJ-UHFFFAOYSA-N
2-METHYLISOBORNEOL
2-methyl-isoborneol
AC1L28XX
SCHEMBL50282
ACMC-20n4fu
2-Methyl-2-bornanol
CCRIS 6593
OR116942
OR221823
PL000982
2-exo-Hydroxy-2-methyl-bornan
LS-188264
FT-0613061
2-Bornanol, 2-methyl-
2371-42-8
91278-70-5
95097-54-4
27695-81-4
18680-50-7
145164-18-7
1071630-41-5
2-Norbornanol, 1,2,7,7-tetramethyl-
3,4,7,7-tetramethylbicyclo[2.2.1]heptan-3-ol
1,2,7,7-Tetramethylbicyclo[2.2.1]heptan-2-ol
1,2,7,7-Tetramethylbicyclo[2.2.1]heptan-2-ol #
(1R,2R)-1,2,7,7-Tetramethylbicyclo[2.2.1]heptan-2-ol
Bicyclo(2.2.1)heptan-2-ol, 1,2,7,7-tetramethyl-, exo-
Bicyclo[2.2.1]heptan-2-ol, 1,2,7,7-tetramethyl-, (1S,2R,4S)-
IUPAC name3,4,7,7-tetramethylbicyclo[2.2.1]heptan-3-ol
SMILESCC1(C2CCC1(C(C2)(C)O)C)C
InchiInChI=1S/C11H20O/c1-9(2)8-5-6-10(9,3)11(4,12)7-8/h8,12H,5-7H2,1-4H3
FormulaC11H20O
PubChem ID16913
Molweight168.28
LogP2.27
Atoms32
Bonds33
H-bond Acceptor1
H-bond Donor1
Chemical ClassificationTerpenes Bicyclo Alcohols Terpene

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaActinomycetes Spp.n/aDickschat et al., 2007
BacteriaCyanobacterian/aDickschat et al., 2007
BacteriaNannocystis Exedens Na E485n/aDickschat et al., 2007
BacteriaNannocystis Exedens Na EB37n/aDickschat et al., 2007
BacteriaNannocystis Exedens Subsp. Cinnabarina Na C29n/aDickschat et al., 2007
BacteriaStreptomyces Lavendulaen/aDickschat et al., 2007
FungiAspergillus NigerSchnürer et al. 1999
FungiPenicillium SolitumSchnürer et al. 1999
BacteriaActinobacteria Sp.n/aStahl and Parkin, 1976
BacteriaActinomycetes Spp.n/aSchulz and Dickschat, 2007
BacteriaBiofilms A (Rivularia Sp./Calothrix Parietina Community)n/aHoeckelmann et al., 2004
BacteriaCyanobacterian/aSchulz and Dickschat, 2007
BacteriaOscillatoria Chalybean/aSchulz and Dickschat, 2007
BacteriaOscillatoria Sp.n/aSchulz and Dickschat, 2007
BacteriaStigmatella Aurantiacan/aSchulz and Dickschat, 2007
BacteriaStreptomycesJones et al. eLife 2017;6:e21738.
BacteriaStreptomyces Alboflavus TD-1n/aWang et al., 2013
BacteriaStreptomyces Aureofaciens ETH 13387n/aSchoeller et al., 2002
BacteriaStreptomyces Aureofaciens ETH 28832n/aSchoeller et al., 2002
BacteriaStreptomyces Diastatochromogenes IFO 13814n/aSchoeller et al., 2002
BacteriaStreptomyces Griseus ATCC 23345n/aSchoeller et al., 2002
BacteriaStreptomyces Griseus Subsp. Griseus DSM 40236nasoilWilkins, 1996
BacteriaStreptomyces Hygroscopicus ATCC 27438n/aSchoeller et al., 2002
BacteriaStreptomyces Murinus DSM 40091n/aSchoeller et al., 2002
BacteriaStreptomyces Murinus NRRL 8171n/aSchoeller et al., 2002
BacteriaStreptomyces Olivaceus ETH 7437n/aSchoeller et al., 2002
BacteriaStreptomyces Sp. GWS-BW-H5.n/aDickschat et al., 2005_2
BacteriaStreptomyces Spp.n/aSchulz and Dickschat, 2007
BacteriaStreptomyces Spp. AMI 240n/aSchoeller et al., 2002
Fungi Aspergillus NigerPriegnitz et al. 2015
FungiPenicillium Polonicumnawater damaged buildings, BelgiumPolizzi et al., 2012
Fungi Penicillium Sp.Larsen and Frisvad 1995
Fungi Streptomyces Sp.Medsker et al. 1969
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaActinomycetes Spp.n/an/a
BacteriaCyanobacterian/an/a
BacteriaNannocystis Exedens Na E485n/an/a
BacteriaNannocystis Exedens Na EB37n/an/a
BacteriaNannocystis Exedens Subsp. Cinnabarina Na C29n/an/a
BacteriaStreptomyces Lavendulaen/an/a
FungiAspergillus Nigermalt extract agar with 0.5-1.0% acetic acidTenaxGC,Chromosorb,HS-SPME, GC-MSno
FungiPenicillium Solitummalt extract agar with 0.5-1.0% acetic acidTenaxGC,Chromosorb,HS-SPME, GC-MSno
BacteriaActinobacteria Sp.n/an/a
BacteriaBiofilms A (Rivularia Sp./Calothrix Parietina Community)n/an/a
BacteriaOscillatoria Chalybean/an/a
BacteriaOscillatoria Sp.n/an/a
BacteriaStigmatella Aurantiacan/an/a
BacteriaStreptomycesYPD agarGCxGC-TOFMSno
BacteriaStreptomyces Alboflavus TD-1Gause's synthetic mediumHeadspace, solid-phase microextraction
BacteriaStreptomyces Aureofaciens ETH 13387Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Aureofaciens ETH 28832Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Diastatochromogenes IFO 13814Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Griseus ATCC 23345Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Griseus Subsp. Griseus DSM 40236Nutrient agar CM3GC/MS
BacteriaStreptomyces Hygroscopicus ATCC 27438Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Murinus DSM 40091Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Murinus NRRL 8171Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Olivaceus ETH 7437Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Sp. GWS-BW-H5.n/an/a
BacteriaStreptomyces Spp.n/an/a
BacteriaStreptomyces Spp. AMI 240Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
Fungi Aspergillus Nigerno
FungiPenicillium Polonicummalt extract agar; potato dextrose agar; water agar; yeast extract agar; Czapek agarSPME-GC/MSNo
Fungi Penicillium Sp.no
Fungi Streptomyces Sp.no


2,2,6-trimethylcyclohexan-1-one

Mass-Spectra

Compound Details

Synonymous names
cistus cyclohexanone
ZPVOLGVTNLDBFI-UHFFFAOYSA-N
2,6-Trimethylcyclohexanone
ACMC-1CUOV
AC1L294H
2,6,6-Trimethylcyclohexanone
2,2,6-TRIMETHYLCYCLOHEXANONE
CTK4F2894
ACMC-20m9i1
Cyclohexanone,2,6-trimethyl-
ACMC-20m9i2
SCHEMBL107630
NSC401659
1,3-Trimethyl-2-cyclohexanone
2,6-Trimethylcyclohexan-1-one
OR014795
2,2,6-Trimethyl cyclohexanone
OR198271
2,2,6-trimethyl-cyclohexanone
ACM2408379
AN-20794
KB-16267
FCH1118039
C-50152
MFCD00045550
Cyclohexanone,2,2,6-trimethyl-
TC-171506
NSC-401659
NSC 401659
DB-046342
ST50823719
J-015344
AKOS015903247
2,2,6-Trimethylcyclohexan-1-one
2,6,6-Trimethylcyclohexan-1-one
FEMA No. 3473
FT-0634253
1,1,3-Trimethyl-2-cyclohexanone
I14-18622
I14-21011
Cyclohexanone, 2,2,6-trimethyl-
2,2,6-trimethyl-cyclohexan-1-one
2408-37-9
EINECS 219-309-9
62861-88-5
106033-56-1
106036-02-6
2,2,6-Trimethylcyclohexanone, 97% 1g
Cyclohexanone, 2,2,6-trimethyl-, (R)-
Cyclohexanone, 2,2,6-trimethyl-, (S)-
InChI=1/C9H16O/c1-7-5-4-6-9(2,3)8(7)10/h7H,4-6H2,1-3H
IUPAC name2,2,6-trimethylcyclohexan-1-one
SMILESCC1CCCC(C1=O)(C)C
InchiInChI=1S/C9H16O/c1-7-5-4-6-9(2,3)8(7)10/h7H,4-6H2,1-3H3
FormulaC9H16O
PubChem ID17000
Molweight140.226
LogP3.13
Atoms26
Bonds26
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationTerpenes Ketones

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaCalothrix Spp.n/aSchulz and Dickschat, 2007
BacteriaPlectoneman/aSchulz and Dickschat, 2007
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaCalothrix Spp.n/an/a
BacteriaPlectoneman/an/a


6,10-dimethylundeca-5,9-dien-2-one

Compound Details

Synonymous names
HNZUNIKWNYHEJJ-UHFFFAOYSA-N
AC1L2EIZ
KSC490E1L
CTK8E5297
CTK4I0496
CTK3J0215
ACMC-209sk5
LP087343
DTXSID1021586
CHEMBL3184326
DSSTox_CID_1586
DSSTox_GSID_21586
AN-22077
ANW-41283
DSSTox_RID_76222
LS-158382
AI3-04987
NSC 406679
AKOS028109451
EU-0085571
FEMA No. 3542
Tox21_202156
Tox21_302933
689-67-8
MCULE-2477887012
NCGC00256556-01
NCGC00259705-01
CAS-689-67-8
EINECS 211-711-2
Undecadien-2-one, 6,10-dimethyl-
6,10-dimethyl-5,9-undecadiene-2-one
2,6-dimethyl-2,6-undecadiene-10-one
6,10-Dimethylundeca-5,9-dien-2-one
6,10-dimethyl- 2-oxo-5,9-undecadiene
6,10-Dimethyl-undeca-5,9-dien-2-one
5,9-Undecadien-2-one, 6,10-dimethyl-
5,9-Undecadien-2-one,6,10-dimethyl-, (5Z)-
IUPAC name6,10-dimethylundeca-5,9-dien-2-one
SMILESCC(=CCCC(=CCCC(=O)C)C)C
InchiInChI=1S/C13H22O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h7,9H,5-6,8,10H2,1-4H3
FormulaC13H22O
PubChem ID19633
Molweight194.318
LogP3.68
Atoms36
Bonds35
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationTerpenes Ketones

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaStreptomyces Sp. GWS-BW-H5.n/aDickschat et al., 2005_2
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaStreptomyces Sp. GWS-BW-H5.n/an/a


1-methyl-4-prop-1-en-2-ylcyclohexene

Mass-Spectra

Compound Details

Synonymous names
Monocyclic terpene hydrocarbons
Polydipentene
Polylimonene
Polymerized dipentene
Absolute petitgrain
Cajeputene
Terpodiene
Achilles dipentene
Cajeputen
Dipenten
Dipentene
Dipentene polymer
Inactive limonene
Kautschin
LIMONENE
Methyl-4-isopropenylcyclohexene
XMGQYMWWDOXHJM-UHFFFAOYSA-N
Cinene
Dipanol
Eulimen
Limonen
Limonene polymer
Petitgrain citronnier oil
Unitene
Absolue orange flower decoloree
Absolute orange flowers
alpha-Limonene
beta-Limonene
Ciene
Cinen
Cyclil decene
Flavor orange
Lemon extract
Lemon tincture
Nesol
Orange flavor
Orange flower absolute
Orange oil concentrate
Petitgrain bigarade sur fleurs d'oranger
Absolue orange flower
Acintene DP
Acintene DP dipentene
Citrus limon extract
DL-Limonene
Goldflush II
Lemon oil concentrate
Lemon petitgrain oil
a-limonene
Cedro oil
Citrus sinensis oil
LEMON OIL
Lemon petigrain oil
Neroli oil
Orange flower water absolute
Orange oil
AC1Q2ODZ
Citrus limon oil
Dipentene, crude
Extract of lemon
Oil sweet orange
Orange flower oil
Sweet orange oil
1-Methyl-4-isopropenylcyclohexene
4-Isopropenyl-1-methylcyclohexene
Absolue orange flower from water
Citrus sinensis peel oil
Orange leaf oil
Terpenes and Terpenoids, limonene fraction
d,l-Limonene
Oil of lemon
OIL OF ORANGE
Oils, orange
Orange oil, distilled
AC1L2K5B
AC1Q1J4Q
AC1Q1J4R
Dipentene, mixture of isomers
Lemon oil, distilled
Neroli oil, pommade
Oil of sweet orange
Oils, citrus limonia
Oils, lemon
Sweet orange oil, terpeneless
DL-4-Isopropenyl-1-methylcyclohexene
ESSENCE DE PIN PF
Lemon oil, Guinea
Lemon oil, Italian
NSC844
Orange oil, sweet
Orange sweet oil, expressed
.alpha.-Limonene
4-isopropenyl-1-methyl-cyclohexene
Dipentene 200
Dipentene, tech.
Methyl-4-isopropenyl-1-cyclohexene
Neat oil of sweet orange
C10H16
CHEMBL15799
DIPENTENE 38 PF
Limonene, dl-
Orange peel oil, sweet
Racemic: DL-limonene; dipentene
UN2052
(?)-Limonene
c0626
CCRIS 683
Citrus medica var. limonum oil
CTK5C8417
d-Limonene (Limonene)
L0046
Limonene, L-
Zitronen oel [German]
delta-1,8-Terpodiene
Methyl-4-(1-methylethenyl)cyclohexene
NSC 844
NSC-844
NSC21446
Oils, orange, sweet
Orange oil, distilled, sweet
Orange oil, sweet, expressed
PC 560
RP20299
Zonarez 7085
Zonarez 7115
1-Methyl-p-isopropenyl-1-cyclohexene
1,8-p-Menthadiene
C06078
d-Limonene (JAN)
D00194
HMS3264E05
HSDB 1809
HSDB 1931
HSDB 1934
HSDB 1944
AK176153
BT000140
DTXSID2029612
LS-2278
LS-2880
Mentha-1,8-diene
NSC757069
OR012480
OR111377
OR111378
OR217376
OR339605
OR369142
STK801934
UN 2052
( inverted exclamation markA)-limonene(dipentene)
1-Methyl-4-isopropenyl-1-cyclohexene
1-methyl-4-isopropenylcyclohex-1-ene
4-Isopropenyl-1-methyl-1-cyclohexene
CHEBI:15384
DSSTox_CID_9612
AN-19448
AN-21149
AN-21151
AN-21831
AN-23147
Caswell No. 425A
d(R)-4-Isopropenyl-1-methylcyclohexene
DSSTox_GSID_29612
limonene, (S)-isomer
LS-89490
LS-89491
LS-98217
NSC 21446
NSC-21446
SC-80005
Caswell No. 526
Cyclohexene, 4-Isopropenyl-1-methyl-
DSSTox_RID_78787
MFCD00062992
p-Mentha-1,8-diene
1-Methyl-4-(1-methylethenyl)cyclohexene
AI3-00739
AI3-25390
CCG-214016
LS-180589
LS-181342
NSC-757069
ST51046654
(+-)-Dipentene
(+-)-Linonene
AKOS009031280
DIPENTENE (+-)
EPA Pesticide Chemical Code 040501
EPA Pesticide Chemical Code 040517
EPA Pesticide Chemical Code 079701
J-007186
J-520048
.delta.-1,8-Terpodiene
4-mentha-1,8-diene
Di-p-mentha-1,8-diene
DL-p-mentha-1,8-diene
FEMA No. 2822
FEMA No. 2853
FT-0600409
FT-0605227
(+-)-alpha-Limonene
I14-18195
I14-53978
Mentha-1,8-diene, DL
p-Mentha-1, dl-
p-Mentha-1,8-diene, polymers
4-(1-methylethenyl)-1-methyl-cyclohexene
EN300-21627
NCI60_041856
Tox21_112068
Tox21_201818
Tox21_303409
(+/-)-Limonene
1-methyl-4-(1-methylethenyl)-cyclohexen
1,8(9)-p-Menthadiene
138-86-3
555-08-8
Limonene, (+)-
limonene, (+-)-isomer
7705-14-8
8022-90-0
8050-32-6
9003-73-0
Dipentene, p.a., 95%
MCULE-2462317444
MENTHA-1,8-DIENE (DL)
NCGC00163742-01
NCGC00163742-02
NCGC00163742-03
NCGC00163742-04
NCGC00257291-01
NCGC00259367-01
AB01563249_01
CAS-138-86-3
Cyclohexene, 1-methyl-4-(1-methylethynyl)
Cyclohexene,1-methyl-4-(1-methylethenyl)-
Dipentene [UN2052] [Flammable liquid]
EINECS 205-341-0
EINECS 227-815-6
EINECS 231-732-0
(.+-.)-Dipentene
(.+-.)-Limonene
1-methyl-4-prop-1-en-2-ylcyclohexene
26123-39-7
65996-98-7
68246-90-2
p-Mentha-1,8(9)-diene
Pharmakon1600-00307080
p-Mentha-1,8-diene, dl-
SR-01000872759
1-methyl-4-(1-methylvinyl)cyclohex-1-ene
WLN: L6UTJ A1 DY1 & U1
(+-)-(RS)-limonene
Cyclohexene, 1-methyl-4-(1-methylethenyl)-
Dipentene [UN2052] [Flammable liquid]
MolPort-001-782-985
(.+/-.)-Dipentene
(.+/-.)-Limonene
1-METHYL-4-PROP-1-EN-2-YL-CYCLOHEXENE
Limonene, (+/-)-
Orange oil, terpeneless (Citrus sinensis (L.) Osbeck)
(1)-1-Methyl-4-(1-methylvinyl)cyclohexene
Cyclohexene, 1-methyl-4-(1-methylethenyl)-, homopolymer
Cyclohexene, (.+-.)-
SR-01000872759-1
1-methyl-4-(prop-1-en-2-yl)cyclohexene
ORANGE, OIL, DISTILLED (CITRUS SINENSIS (L.) OSBECK)
( inverted exclamation markA)-1,8-p-menthadiene,( inverted exclamation markA)-limonene
Dipentene, technical, for use as solvent (for the paint industry), mixture of various terpenes
1-Methyl-4-(1-methylethenyl)cyclohexene, (S)-
ORANGE PEEL, SWEET, OIL (CITRUS SINENSIS (L.) OSBECK)
(.+/-.)-.alpha.-Limonene
(+/-)-p-Mentha-1,8-diene
Petitgrain lemon oil (Citrus limon (L.) Burm. f.)
(s)-(-)-4-isopropenyl-1-methyl-1-cyclohexene
1-methyl-4-(prop-1-en-2-yl)cyclohex-1-ene
p-Mentha-1,8-diene, (+-)-
p-Mentha-1, (.+-.)-
lemon, oil (citrus limon (l.) burm. f.)
Cyclohexene, 1-methyl-4-(1-methylethenyl)-, (R)-
Cyclohexene, 1-methyl-4-(1-methylethenyl)-, (S)-
4B4F06FC-8293-455D-8FD5-C970CDB001EE
Cyclohexene,3-methyl-6-(1-methylethenyl)-, (3R,6R)-rel-
Dipentene, mixt. of limonene, 56-64%, and terpinolene, 20-25%
p-Mentha-1,8-diene, (.+/-.)-
Cyclohexene, 1-methyl-4-(1-methylethenyl)-, (+/-)-
Cyclohexene, 1-methyl-4-(1-methylethenyl)-, (.+/-.)-
IUPAC name1-methyl-4-prop-1-en-2-ylcyclohexene
SMILESCC1=CCC(CC1)C(=C)C
InchiInChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3
FormulaC10H16
PubChem ID22311
Molweight136.238
LogP3.22
Atoms26
Bonds26
H-bond Acceptor0
H-bond Donor0
Chemical ClassificationTerpenes Alkenes

mVOC Specific Details

Volatilization
Turpentine typically contains alpha-pinene (59%), beta-pinene (24%) and other isomeric terpenes(1). The Henry's Law constant for alpha- and beta-pinene have been measured as 0.134 and 0.0679 atm-cu m/mole respectively at 25 deg C(2). These Henry's Law constants indicate that alpha- and beta-pinene are expected to volatilize rapidly from water surfaces(3). Based on these Henry's Law constants, 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 3.4 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 4.6 days(SRC). alpha- and beta-Pinene's Henry's Law constants indicate that volatilization from moist soil surfaces may occur(SRC). alpha- and beta-Pinene are expected to volatilize from dry soil surfaces(SRC) based upon respective vapor pressures of 4.75 and 2.93 mm Hg at 25 deg C(1).
Literature: (1) USEPA; Screening-Level Hazard Characterization, Bicyclic Terpene Hydrocarbons Category, September 2010; Available from, as of Dec 26, 2014: http://www.epa.gov/chemrtk/hpvis/hazchar/Category_Bicyclic%20Terpene%20Hydrocarbons_%20September_2010.pdf (2) Copolovici LO, Niinemets U; Chemosphere 61: 1390-400 (2005) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990)
Literature: #The Henry's Law constant for limonene is estimated as 0.032 atm-cu m/mole(SRC) derived from its vapor pressure, 1.55 mm Hg(1), and water solubility, 7.57 mg/L(2). This Henry's Law constant indicates that limonene is expected to volatilize rapidly 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 3 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)(3) is estimated as 5 days(SRC). Limonene's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of limonene from dry soil surfaces may exist(SRC) based upon its vapor pressure(1).
Literature: (1) Boublik T et al; The vapor pressures of pure substances. Vol. 17. Amsterdam, Netherlands: Elsevier Sci Publ (1984) (2) Miller DJ, Hawthorne SB; J Chem Eng Data 44: 315-8 (2000) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990)
Literature: #The Henry's Law constant for d-limonene is reported as 0.0281 atm-cu m/mole(1). This Henry's Law constant indicates that d-limonene is expected to volatilize rapidly 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 3.5 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 4.6 days(SRC). d-Limonene's reported Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of d-limonene from dry soil surfaces may exist based upon a vapor pressure of 1.98 mm Hg(3).
Literature: (1) Copolovici LO, Niinemets U Chemosphere 61: 1390-400 (2005) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Yaws CL; Handbook of Vapor Pressure. Vol 3: C8-C28 Compounds. Houston, TX: Gulf Pub Co (1994)
Solubility
In water, 0.65 to 2.1 mg/L at 25 deg C /primary pinene constituents of turpentine oil/
Literature: USEPA; Screening-Level Hazard Characterization, Bicyclic Terpene Hydrocarbons Category, September 2010. Available from, as of Dec 26, 2014: http://www.epa.gov/chemrtk/hpvis/hazchar/Category_Bicyclic%20Terpene%20Hydrocarbons_%20September_2010.pdf
Literature: #Insol in water
Literature: O'Neil, M.J. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. Cambridge, UK: Royal Society of Chemistry, 2013., p. 1822
Literature: #Soluble in 5 volumes alcohol; miscible with benzene, chloroform, ether, carbon disulfide, petroleum ether and oils.
Literature: O'Neil, M.J. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. Cambridge, UK: Royal Society of Chemistry, 2013., p. 1822
Literature: #SLIGHTLY SOL IN WATER; SOL IN 3 VOL ALCOHOL; MISCIBLE WITH CARBON DISULFIDE, GLACIAL ACETIC ACID
Literature: The Merck Index. 9th ed. Rahway, New Jersey: Merck & Co., Inc., 1976., p. 883
Literature: #In water, 7.57 mg/L at 25 deg C
Literature: Miller DJ, Hawthorne SB; J Chem Eng Data 44: 315-8 (2000)
Literature: #Miscible with alcohol
Literature: O'Neil, M.J. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. Cambridge, UK: Royal Society of Chemistry, 2013., p. 1021
Literature: #Miscible with alcohol, ether.
Literature: Lewis, R.J. Sr. (ed) Sax's Dangerous Properties of Industrial Materials. 12th Edition. Wiley-Interscience, Wiley & Sons, Inc. Hoboken, NJ. 2012., p. V4: 2827
Literature: #Slightly soluble in water
Literature: O'Neil, M.J. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. Cambridge, UK: Royal Society of Chemistry, 2013., p. 1262
Literature: #Soluble in 2 vol 90% alcohol, 1 volume glacial acetic acid; miscible with absolute alcohol, carbon disulfide
Literature: O'Neil, M.J. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. Cambridge, UK: Royal Society of Chemistry, 2013., p. 1262
Literature: #In water, 13.8 mg/L at 25 deg C
Literature: Massaldi HA, King CJ; J Chem Eng Data 18: 393-7 (1973)
Literature: #Miscible with ethanol and ether; soluble in carbon tetrachloride
Literature: Haynes, W.M. (ed.). CRC Handbook of Chemistry and Physics. 95th Edition. CRC Press LLC, Boca Raton: FL 2014-2015, p. 3-338
Literature: #Miscible with fixed oils; slightly soluble in glycerin; insoluble in propylene glycol
Literature: Lewis, R.J. Sr. (ed) Sax's Dangerous Properties of Industrial Materials. 12th Edition. Wiley-Interscience, Wiley & Sons, Inc. Hoboken, NJ. 2012., p. V4: 2741
Soil Adsorption
Turpentine typically contains alpha-pinene (59%), beta-pinene (24%) and other isomeric terpenes(1). Using a structure estimation method based on molecular connectivity indices(2), the Koc of alpha- and beta-pinene can be estimated to be 1000(SRC). According to a classification scheme(3), this estimated Koc value suggests that alpha- and beta-pinene are expected to have low mobility in soil.
Literature: (1) USEPA; Screening-Level Hazard Characterization, Bicyclic Terpene Hydrocarbons Category, September 2010. Available from, as of Dec 26, 2014: http://www.epa.gov/chemrtk/hpvis/hazchar/Category_Bicyclic%20Terpene%20Hydrocarbons_%20September_2010.pdf (2) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.11. Nov, 2012. Available from, as of Dec 27, 2014: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm
Literature: #Using a structure estimation method based on molecular connectivity indices(1), the Koc for limonene can be estimated to be 1,100(SRC). According to a classification scheme(2), this estimated Koc value suggests that limonene is expected to have low mobility in soil(SRC).
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of Apr 24, 2015: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (2) Swann RL et al; Res Rev 85: 17-28 (1983)
Literature: #Using a structure estimation method based on molecular connectivity indices(1), the Koc of d-limonene can be estimated to be 1120(SRC). According to a classification scheme(2), this estimated Koc value suggests that d-limonene is expected to have low mobility in soil.
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of Apr 24, 2015: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (2) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
0.25 to 0.67 kPa at 20 deg C (1.9 to 5 mm Hg)CDC; International Chemical Safety Cards (ICSC) 2012. Turpentine, ICSC 1063. Atlanta, GA: Centers for Disease Prevention & Control. National Institute for Occupational Safety & Health (NIOSH). Ed Info Div. Available from, as of Dec 26, 2014: http://www.cdc.gov/niosh/ipcs/icstart.html
1.55 mm Hg at 25 deg C /extrapolated/Boublik, T., Fried, V., and Hala, E., The Vapour Pressures of Pure Substances. Second Revised Edition. Amsterdam: Elsevier, 1984.
1.98 mm Hg at 25 deg CYaws CL; Handbook of Vapor Pressure. Vol 3: C8-C28 Compounds. Houston,TX: Gulf Pub Co (1994)
MS-Links

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
FungiTrichoderma Atroviriden/aCrutcher et al., 2013
FungiTrichoderma Reesein/aCrutcher et al., 2013
FungiTrichoderma Virensn/aCrutcher et al., 2013
BacteriaBurkholderia Tropica MTo431n/aTenorio-Salgado et al., 2013
FungiCladosporium CladosporiodesHedlund et al 1995
FungiCladosporium HerbarumHedlund et al 1995
FungiPenicillium SpinulosumHedlund et al 1995
FungiMortierella Isabellinamor horizon of a spruce forest soil southeastern SwedenBengtsson et al 1991
BacteriaPseudomonas Brassicacearum USB2104reduces mycelium growth and sclerotia germination of Sclerotinia sclerotiorum USB-F593; lyses red blood cellsrhizosphere of bean plants, southern ItalyGiorgio et al., 2015
FungiLentinula EdodesnanaÇağlarırmak et al., 2007
BacteriaAMI 386nabreathing zone of a waste collection workerWilkins, 1996
BacteriaCalothrix Parietina PCC 6303n/aHoeckelmann et al., 2004
BacteriaCalothrix Sp.n/aHoeckelmann et al., 2004
BacteriaCalothrix Spp.n/aHoeckelmann and Juettner, 2004
BacteriaCarnobacterium Divergens 9Pn/aErcolini et al., 2009
BacteriaNannocystis Exedens Na EB37n/aDickschat et al., 2007
BacteriaNannocystis Exedens Subsp. Cinnabarina Na C29n/aDickschat et al., 2007
BacteriaPhormidium Sp.n/aHoeckelmann et al., 2004
BacteriaPlectonema Notatumn/aHoeckelmann et al., 2004
BacteriaPlectonema Sp.n/aHoeckelmann et al., 2004
BacteriaPseudomonas Fragi 25Pn/aErcolini et al., 2009
BacteriaRivularia Sp.n/aHoeckelmann et al., 2004
BacteriaSerratia Proteamaculans 42Mn/aErcolini et al., 2009
BacteriaSerratia Spp. B2675n/aBruce et al., 2004
BacteriaSerratia Spp. B675n/aBruce et al., 2004
BacteriaStaphylococcus Sciurinafrom the gut flora of pea aphid Acyrthosiphon pisum honeydewLeroy et al., 2011
BacteriaStreptomyces Citreusn/aSchulz and Dickschat, 2007
BacteriaTolypothrix Distortan/aHoeckelmann et al., 2004
FungiAmanita OvoideaFranceBreheret et al. 1997
FungiCantharellus CibariusFranceBreheret et al. 1997
FungiClitocybe OdoraFranceBreheret et al. 1997
FungiCortinarius CinnamomeusFranceBreheret et al. 1997
FungiCystoderma AmianthinumFranceBreheret et al. 1997
FungiCystoderma CarchariasFranceBreheret et al. 1997
FungiEmericella Nidulanscompost Fischer et al. 2039
FungiFomitopsis PinicolanaGermanyRösecke et al., 2000
FungiMycena PuraFranceBreheret et al. 1997
FungiMycena RoseaFranceBreheret et al. 1997
FungiPenicillium Brevicompactumcompost Fischer et al. 2039
FungiPenicillium Clavigerumcompost Fischer et al. 2039
FungiPenicillium Commune Pittnain dry-cured meat products, cheeseSunesson et al., 1995
FungiPenicillium Crustosumcompost Fischer et al. 2039
FungiPenicillium Glabrumcompost Fischer et al. 2039
FungiPleurotus Eryngii Var. TuoliensisnanaUsami et al., 2014
FungiSaccharomyces Cerevisiae Y1001n/aBruce et al., 2004
FungiSpongiporus Leucomallellusnasaprophytic mostly on wet, old pinesZiegenbein et al., 2006
FungiTrichodema Pseudokoningiin/aWheatley et al., 1997
FungiTrichoderma VirideHung et al., 2013
FungiTricholoma CaligatumFranceBreheret et al. 1997
FungiTricholoma SulfureumFranceBreheret et al. 1997
FungiTuber BrumaleFortywoodland of the Basilicata regionMauriello et al., 2004
FungiTuber Magnatumn/aItalian geographical areas ( Umbria, Piedmont, Marche, Emilia Romagna, Border region area between Emilia Romagna and Marche, Tuscany, Molise)Gioacchini et al., 2008
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
FungiTrichoderma AtroviridePotato dextrose agarHS-SPME/GC-MS
FungiTrichoderma ReeseiPotato dextrose agarHS-SPME/GC-MS
FungiTrichoderma VirensPotato dextrose agarHS-SPME/GC-MS
BacteriaBurkholderia Tropica MTo431Potato dextrose agarHeadspace trapping/ GC-MS
FungiCladosporium CladosporiodesGC-MSno
FungiCladosporium HerbarumGC-MSno
FungiPenicillium SpinulosumGC-MSno
FungiMortierella Isabellinamalt extact agardiethyl extraction, GC-MSno
BacteriaPseudomonas Brassicacearum USB2104King's B AgarSPME-GC/MSNo
FungiLentinula EdodesnaGC/MSNo
BacteriaAMI 386Nutrient agar CM3 + 50mg/l actidioneGC/MS
BacteriaCalothrix Parietina PCC 6303n/an/a
BacteriaCalothrix Sp.n/an/a
BacteriaCalothrix Spp.n/an/a
BacteriaCarnobacterium Divergens 9Pn/an/a
BacteriaNannocystis Exedens Na EB37n/an/a
BacteriaNannocystis Exedens Subsp. Cinnabarina Na C29n/an/a
BacteriaPhormidium Sp.n/an/a
BacteriaPlectonema Notatumn/an/a
BacteriaPlectonema Sp.n/an/a
BacteriaPseudomonas Fragi 25Pn/an/a
BacteriaRivularia Sp.n/an/a
BacteriaSerratia Proteamaculans 42Mn/an/a
BacteriaSerratia Spp. B2675n/an/a
BacteriaSerratia Spp. B675n/an/a
BacteriaStaphylococcus Sciuri876 liquid mediumSPME-GC/MS
BacteriaStreptomyces Citreusn/an/a
BacteriaTolypothrix Distortan/an/a
FungiAmanita Ovoideaforest soilsolvent extraction, headspace, GCMSno
FungiCantharellus Cibariusforest soilsolvent extraction, headspace, GCMSno
FungiClitocybe Odoraforest soilsolvent extraction, headspace, GCMSno
FungiCortinarius Cinnamomeusforest soilsolvent extraction, headspace, GCMSno
FungiCystoderma Amianthinumforest soilsolvent extraction, headspace, GCMSno
FungiCystoderma Carchariasforest soilsolvent extraction, headspace, GCMSno
FungiEmericella Nidulansyest extract sucroseTenax/GC-MSno
FungiFomitopsis PinicolanaGC/MSNo
FungiMycena Puraforest soilsolvent extraction, headspace, GCMSno
FungiMycena Roseaforest soilsolvent extraction, headspace, GCMSno
FungiPenicillium Brevicompactumyest extract sucroseTenax/GC-MSno
FungiPenicillium Clavigerumyest extract sucroseTenax/GC-MSno
FungiPenicillium Commune PittDG18GC/MS
FungiPenicillium Crustosumyest extract sucroseTenax/GC-MSno
FungiPenicillium Glabrumyest extract sucroseTenax/GC-MSno
FungiPleurotus Eryngii Var. TuoliensisnaGC/MS, GC-O, AEDANo
FungiSaccharomyces Cerevisiae Y1001n/an/a
FungiSpongiporus LeucomallellusnaGC/MSNo
FungiTrichodema PseudokoningiiLow mediumGC/MS
FungiTrichoderma VirideMalt extract agar Headspace volatiles collected with colomn/TD-GC-MSYes
FungiTricholoma Caligatumforest soilsolvent extraction, headspace, GCMSno
FungiTricholoma Sulfureumforest soilsolvent extraction, headspace, GCMSno
FungiTuber Brumalemicroextraction–gas chromatography–mass spectrometry analysis (SPME–GC–MS)No
FungiTuber Magnatumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)


4,4,7a-trimethyl-6,7-dihydro-5H-1-benzofuran-2-one

Mass-Spectra

Compound Details

Synonymous names
DIHYDROACTINIDIOLIDE
dihydroactinidolide
Dihydroactinolide
IMKHDCBNRDRUEB-UHFFFAOYSA-N
( inverted exclamation markA)dihydro actinidiolide
AC1L1CQ7
M304
KSC914Q9N
CTK8B4896
CHEMBL2271411
NSC357087
HE038848
FS-3501
SCHEMBL3503557
M-8127
ANW-46618
AK-62444
AN-19303
FCH1121135
KB-00944
MFCD06409997
2-Hydroxy-2,6,6-trimethylcyclohexylideneacetic acid gamma-lactone
KB-239354
NSC-357087
RT-003609
ST24032676
AKOS015902000
4CH-007201
4CH-006512
I14-13316
(2,6,6-Trimethyl-2-hydroxycyclohexylidene)acetic acid lactone
3B1-002147
EINECS 239-390-4
15356-74-8
17092-92-1
19432-05-4
MolPort-006-121-402
4,4,7a-trimethyl-6,7-dihydro-5H-benzofuran-2-one
4,5,7,7a-Tetrahydro-4,4,7a-trimethyl-2(6H)benzofuranone
4,4,7a-trimethyl-6,7-dihydro-5H-1-benzofuran-2-one
2(4H)-Benzofuranone,6,7,7a-tetrahydro-4,4,7a-trimethyl-
5,6,7,7a-Tetrahydro-4,4,7a-trimethyl-2(4H)-benzofuranone
4,4,7a-Trimethyl-5,6,7,7a-tetrahydro-4H-Benzofuran-2-one
4,4,7a-Trimethyl-5,6,7,7a-tetrahydrobenzofuran-2(4H)-one
5,6,7,7a-Tetrahydro-4,4,7a-trimethylbenzofuran-2(4H)-one
4,4,7a-Trimethyl-5,6,7,7a-tetrahydrobenzo[b]furan-2(4H)-one
2(4H)-Benzofuranone, 5,6,7,7a-tetrahydro-4,4,7a-trimethyl-
4,4,7a-trimethyl-2,4,5,6,7,7a-hexahydro-1-benzofuran-2-one
4,4,7a-Trimethyl-5,6,7,7a-tetrahydro-1-benzofuran-2(4H)-one #
2(4H)-Benzofuranone,6,7,7a-tetrahydro-4,4,7a-trimethyl-, (S)-
2(4H)-Benzofuranone,6,7,7a-tetrahydro-4,4,7a-trimethyl-, (R)-
IUPAC name4,4,7a-trimethyl-6,7-dihydro-5H-1-benzofuran-2-one
SMILESCC1(CCCC2(C1=CC(=O)O2)C)C
InchiInChI=1S/C11H16O2/c1-10(2)5-4-6-11(3)8(10)7-9(12)13-11/h7H,4-6H2,1-3H3
FormulaC11H16O2
PubChem ID27209
Molweight180.247
LogP2.57
Atoms29
Bonds30
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationTerpenes Lactone Alkenes esters

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaCalothrix Spp.n/aSchulz and Dickschat, 2007
BacteriaCytophaga-Flavobacteria-Bacteroides Groupn/aSchulz and Dickschat, 2007
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10063n/aDickschat et al., 2005_3
BacteriaPhormidium Sp.n/aSchulz and Dickschat, 2007
BacteriaPlectoneman/aSchulz and Dickschat, 2007
BacteriaStigmatella Aurantiacan/aSchulz and Dickschat, 2007
BacteriaStigmatella Aurantiaca DW4/3-1n/aDickschat et al., 2005_5
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaCalothrix Spp.n/an/a
BacteriaCytophaga-Flavobacteria-Bacteroides Groupn/an/a
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10063n/an/a
BacteriaPhormidium Sp.n/an/a
BacteriaPlectoneman/an/a
BacteriaStigmatella Aurantiacan/an/a
BacteriaStigmatella Aurantiaca DW4/3-1n/an/a