Results for:
PubChem ID: 1254

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.
Microorganism:

Yes

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