Results for:
PubChem ID: 11230

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
Microorganism:

Yes

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