Results for:
PubChem ID: 17100

2-(4-methylcyclohex-3-en-1-yl)propan-2-ol

Mass-Spectra

Compound Details

Synonymous names
Monocyclic terpenealcohols
CARVOMENTHENOL
Terpineol schlechthin
TERPINEOLS
Terpenol
Terpineol
WUOACPNHFRMFPN-UHFFFAOYSA-N
alpha-Terpinenol
alpha-TERPINEOL
Terpene alcohol
Terpineol Normal
alpha-Terpineol, primary pharmaceutical reference standard
TERPINEOL OR
alpha-Terpineol, AldrichCPR
alpha-Terpineol, analytical standard
dl-alpha-Terpineol
TERPINEOL, ALPHA
DL a-terpineol
Terpineol, mixed isomers
1-alpha-terpineol
Mixture of p-methenols
Terpineol (natural)
.alpha.-Terpineol
Alpha-Terpineol, Mixture of Isomers
Terpilenol, alpha-
AC1L29B5
alpha-Terpineol (natural)
KSC486Q4B
Terpineol 350
SCHEMBL28466
CTK3I6840
V0385
CHEMBL449810
NSC21449
PC 593
C16772
CCRIS 3204
HSDB 5316
1-.alpha.-Terpineol
1-Menthene-8-ol
AK122298
DTXSID5026625
FEMA Number 3045
LS-3106
NSC403665
OR034447
OR126371
OR342936
OR343294
SBB061191
4-Trimethyl-3-cyclohexene-1-methanol
CHEBI:22469
DSSTox_CID_6625
AN-18294
AN-19422
AN-24486
DSSTox_GSID_26625
DSSTox_GSID_40775
NSC 21449
NSC-21449
SC-46794
alpha-Terpineol, 90%, technical grade
Caswell No. 823
DSSTox_RID_78167
DSSTox_RID_79596
MFCD00001557
MFCD00166983
1-p-Menthen-8-ol
AI3-00275
alpha,alpha,4-Trimethyl-3-cyclohexene-1-methanol
KB-223071
LS-148797
NSC-403665
ST24039469
ST50824481
TR-030336
AKOS015840815
EPA Pesticide Chemical Code 067005
J-500272
Menth-1-en-8-ol
W-100076
BRN 1906604
FEMA No. 3045
FT-0622202
FT-0698995
98-55-5
I14-51686
d-1-p-Menthen-8-ol
p-Menth-1-en-8-ol
Tox21_112118
Tox21_200112
Tox21_302298
(+)-.alpha.-Terpineol
CAS-98-55-5
1-Methyl-4-isopropyl-1-cyclohexene-8-ol
2438-12-2
3-Cyclohexene-1-methanol,.alpha.4-trimethyl-
8000-41-7
8031-32-1
MCULE-9798755896
NCGC00164431-01
NCGC00248528-01
NCGC00255464-01
NCGC00257666-01
1-Methyl-4-isopropyl-1-cyclohexen-8-ol
3-Cyclohexene-1-methanol, alpha,alpha,4-trimethyl-
EINECS 202-680-6
EINECS 219-448-5
EINECS 232-268-1
p-Menth- 1-en-8-ol
11103-96-1
22347-88-2
37195-01-0
CAS-8000-41-7
SR-01000944873
2-(4-Methyl-3-cyclohexenyl)-2-propanol
2-(4-methylcyclohex-3-enyl)propan-2-ol
3-Cyclohexene-1-methanol, ?,?,4-trimethyl-
MolPort-002-042-108
(1)-alpha,alpha,4-Trimethylcyclohex-3-ene-1-methanol
SR-01000944873-1
68540-43-2 (hydrochloride salt)
(1R)-a,a,4-trimethyl-3-cyclohexene-1-methanol
3-Cyclohexene-1-methanol, .alpha.,.alpha.4-trimethyl-
2-(4-methylcyclohex-3-en-1-yl)propan-2-ol
3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-
2-(4-methyl-1-cyclohex-3-enyl)-propan-2-ol
3-Cyclohexene-1-methanol, ?,?,4-trimethyl-, (R)-
3-Cyclohexene-1-methanol, ?,?,4-trimethyl-, (S)-
3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-, (S)-
3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-, (1R)-
3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-, (1S)-
3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-, sodium salt, (1S)-
3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-, sodium salt (1:1), (1S)-
Microorganism:

Yes

IUPAC name2-(4-methylcyclohex-3-en-1-yl)propan-2-ol
SMILESCC1=CCC(CC1)C(C)(C)O
InchiInChI=1S/C10H18O/c1-8-4-6-9(7-5-8)10(2,3)11/h4,9,11H,5-7H2,1-3H3
FormulaC10H18O
PubChem ID17100
Molweight154.253
LogP2.17
Atoms29
Bonds29
H-bond Acceptor1
H-bond Donor1
Chemical ClassificationAlcohols terpenes

mVOC Specific Details

Volatilization
The Henry's Law constant for alpha-terpineol is reported as 2.23X10-6 atm-cu m/mole(1). This Henry's Law constant indicates that alpha-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 20 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 150 days(SRC). alpha-Terpineol's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). alpha-Terpineol is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 0.0423 mm Hg at 24 deg C(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) Li J, Perdue, EM; Preprints of Papers Presented at the 209th ACS National Meeting, Anaheim, CA, April 2-7, 1995, 35: 134-7 (1995)
Solubility
1:8 OR MORE IN 50% ALCOHOL; SOL 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. 522
Literature: #Very soluble in benzene, acetone
Literature: Lide, D.R. CRC Handbook of Chemistry and Physics 88TH Edition 2007-2008. CRC Press, Taylor & Francis, Boca Raton, FL 2007, p. 3-468
Literature: #Very soluble in 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. 4151
Literature: #In water, 7100 mg/L at 25 deg C
Literature: Li J, Perdue EM; Preprints of Papers Presented at the 209th ACS National Meeting, Anaheim, CA, April 2-7, 1995, 35: 134-7 (1995)
Soil Adsorption
Using a structure estimation method based on molecular connectivity indices(1), the Koc of alpha-terpineol can be estimated to be 80(SRC). According to a classification scheme(2), this estimated Koc value suggests that alpha-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 June 29, 2015: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (2) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
0.0423 mm Hg at 24 deg CLi J, Perdue EM; Preprints of Papers Presented at the 209th ACS National Meeting, Anaheim, CA, April 2-7, 1995, 35: 134-7 (1995)

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
FungiHypoxylon Antochroum Blacinaendophytic in Bursera lancifoliaUlloa-Benítez et al., 2016
FungiPiptoporus BetulinusnaSachsenwald near HamburgRösecke et al., 2000
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10063n/aDickschat et al., 2005_3
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10267n/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
BacteriaStigmatella Aurantiaca Sg A15n/aDickschat et al., 2005_5
BacteriaBacillus Pumilus ES4promotion of performance of Chlorella sorokiniana ShihAmavizca et al. 2017
BacteriaEscherichia Coli DH5apromotion of performance of Chlorella sorokiniana ShihAmavizca et al. 2017
FungiAntrodia Cinnamomea ATCC 200183nanaLu et al., 2014
FungiGanoderma Lucidumnasaprophytic on deciduous treesZiegenbein et al., 2006
FungiSpongiporus Leucomallellusnasaprophytic mostly on wet, old pinesZiegenbein et al., 2006
BacteriaBacillus SimplexReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.Gu et al., 2007
BacteriaBacillus SubtilisReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.Gu et al., 2007
BacteriaBacillus WeihenstephanensisReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.Gu et al., 2007
BacteriaMicrobacterium OxydansReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.Gu et al., 2007
BacteriaSerratia MarcescensReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.Gu et al., 2007
BacteriaStenotrophomonas MaltophiliaReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.Gu et al., 2007
BacteriaStreptomyces LateritiusReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.Gu et al., 2007
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
FungiHypoxylon Antochroum BlaciPDA/WA + 500 mg l^-1 ChloramphenicolSPME-GC/MSNo
FungiPiptoporus BetulinusnaGC/MSNo
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10063n/an/a
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10267n/an/a
BacteriaPseudomonas Fragi 25Pn/an/a
BacteriaSerratia Proteamaculans 42Mn/an/a
BacteriaStigmatella Aurantiaca DW4/3-1n/an/a
BacteriaStigmatella Aurantiaca Sg A15n/an/a
BacteriaBacillus Pumilus ES4TSASPME-GCno
BacteriaEscherichia Coli DH5aTSASPME-GCno
FungiAntrodia Cinnamomea ATCC 200183PDAGC/MSYes
FungiGanoderma LucidumnaGC/MSNo
FungiSpongiporus LeucomallellusnaGC/MSNo
BacteriaBacillus Simplexn/an/a
BacteriaBacillus Subtilisn/an/a
BacteriaBacillus Weihenstephanensisn/an/a
BacteriaMicrobacterium Oxydansn/an/a
BacteriaSerratia Marcescensn/an/a
BacteriaStenotrophomonas Maltophilian/an/a
BacteriaStreptomyces Lateritiusn/an/a