Results for:
PubChem ID: 11230

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

Mass-Spectra

Compound Details

Synonymous names
4-Carvomenthenol
Terpinen-4-ol
562-74-3
4-Terpineol
p-Menth-1-en-4-ol
1-Terpinen-4-ol
Terpinenol-4
1-p-Menthen-4-ol
Terpene-4-ol
1-Menthene-4-ol
TERPINENE-4-OL
1-para-Menthen-4-ol
3-Cyclohexen-1-ol, 4-methyl-1-(1-methylethyl)-
rac Terpinen-4-ol
(+-)-p-Menth-1-en-4-ol
(+/-)-Terpinen-4-ol
Terpinenolu-4
Terpineol-4
4-Methyl-1-(1-methylethyl)-3-cyclohexen-1-ol
dl-4-Terpineol
FEMA No. 2248
Terpinine-4-ol
(+/-)-4-Terpineol
para-Menth-1-en-4-ol
4-Carvomenthenol (natural)
1-Methyl-4-isopropyl-1-cyclohexen-4-ol
4-Methyl-1-isopropyl-3-cyclohexen-1-ol
Terpin-4-en-1-ol
CCRIS 9067
NSC 147749
4-methyl-1-propan-2-ylcyclohex-3-en-1-ol
EINECS 209-235-5
EINECS 248-910-9
UNII-L65MV77ZG6
4-Methyl-1-(propan-2-yl)cyclohex-3-en-1-ol
alpha-terpinen-4-ol
BRN 1906603
L65MV77ZG6
1-isopropyl-4-methylcyclohex-3-en-1-ol
CHEBI:78884
NSC-147749
DTXSID4044824
HSDB 8264
(1)-1-(Isopropyl)-4-methylcyclohex-3-en-1-ol
4-06-00-00250 (Beilstein Handbook Reference)
4-TERPINEOL, (+/-)-
TERPINEN-4-OL,(+/-)-
MFCD00001562
1-(ISOPROPYL)-4-METHYLCYCLOHEX-3-EN-1-OL
METHYL-1-(1-METHYLETHYL)-3-CYCLOHEXEN-1-OL
L-4-terpineneol
L-4-terpineol
L-terpinen-4-ol
Terpinenolu-4 [Czech]
(+/-)-1-Isopropyl-4-methyl-3-cyclohexen-1-ol
Origanol
Terpinen 4-ol
1-isopropyl-4-methylcyclohex-3-enol
(-)-1-Isopropyl-4-methyl-3-cyclohexen-1-ol
alpha -Terpinen-4-ol
1-Isopropyl-4-methyl-3-cyclohexen-1-ol, (R)-
1-isopropyl-4-methyl-cyclohex-3-en-1-ol
4-TERPINEOL [INCI]
SCHEMBL22344
TERPINEN-4-OL [FCC]
(-)-p-Menth-1-en-4-ol
CHEMBL507795
4-CARVOMENTHENOL [FHFI]
DTXCID2024824
FEMA 2248
(+/-)-p-Menth-1-en-4-ol
Tox21_301785
AC1341
NSC147749
s6118
AKOS015903412
CS-W018032
DB12816
HY-W017316
MCULE-6511194668
SB44714
4-Carvomenthenol, >=95%, FCC, FG
NCGC00256250-01
1-Isopropyl-4-methyl-3-cyclohexen-1-ol
4-Carvomenthenol, natural, >=95%, FG
AS-56462
CAS-562-74-3
SY012857
DB-066063
DB-234185
M0319
NS00013199
T1993
C17073
A918559
Q416114
(-)-4-Hydroxy-4-isopropyl-1-methyl-1-cyclohexene
(+/-)-4-Hydroxy-4-isopropyl-1-methyl-1-cyclohexene
Terpinen 4-ol, primary pharmaceutical reference standard
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
Molweight154.25
LogP2.2
Atoms11
Bonds1
H-bond Acceptor1
H-bond Donor1
Chemical Classificationalcohols terpenes
CHEBI-ID78884
Supernatural-IDSN0418419

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
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaHypoxylon InvadensNADickschat et al. 2018
EukaryotaAntrodia CinnamomeananaLu et al. 2014
ProkaryotaStigmatella Aurantiacan/aNADickschat et al. 2005_5
ProkaryotaCytophaga-Flavobacterium-Bacteroidesn/aNADickschat et al. 2005_3
EukaryotaGanoderma Lucidumnasaprophytic on deciduous treesCampos Ziegenbein et al. 2006
Kluyveromyces MarxianusJi et al. 2024
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaHypoxylon InvadensYMG mediumCSLA-GCMSno
EukaryotaAntrodia CinnamomeaPDAGC/MSyes
ProkaryotaStigmatella Aurantiacan/an/ano
ProkaryotaCytophaga-Flavobacterium-Bacteroidesn/an/ano
EukaryotaGanoderma LucidumnaGC/MSno
Kluyveromyces MarxianusSauce Meat during StorageSPME–GC–MSno