Results for:
PubChem ID: 17100

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

Mass-Spectra

Compound Details

Synonymous names
alpha-TERPINEOL
Terpineol
98-55-5
2-(4-methylcyclohex-3-en-1-yl)propan-2-ol
p-Menth-1-en-8-ol
8000-41-7
dl-alpha-Terpineol
1-p-Menthen-8-ol
Terpenol
Terpineol 350
1-Menthene-8-ol
Terpineol schlechthin
CARVOMENTHENOL
TERPINEOLS
.alpha.-Terpineol
Terpilenol, alpha-
8006-39-1
FEMA No. 3045
FEMA Number 3045
alpha-Terpineol (natural)
1-Methyl-4-isopropyl-1-cyclohexen-8-ol
2-(4-Methyl-3-cyclohexenyl)-2-propanol
alpha,alpha,4-Trimethyl-3-cyclohexene-1-methanol
ALFA-TERPINEOL
alpha-Terpinenol
CCRIS 3204
HSDB 5316
1-Methyl-4-isopropyl-1-cyclohexene-8-ol
EINECS 202-680-6
EINECS 219-448-5
NSC 21449
PC 593
UNII-21334LVV8W
BRN 1906604
DTXSID5026625
CHEBI:22469
AI3-00275
21334LVV8W
MFCD00001557
NSC-21449
NSC-403665
DTXCID406625
MIL-350
1-alpha-terpineol
EC 202-680-6
PC-593
(1)-alpha,alpha,4-Trimethylcyclohex-3-ene-1-methanol
NCGC00164431-01
DSSTox_CID_6625
alpha-TERPINEOL (PROPYL METHYL-D3)
68797-63-7
DSSTox_RID_79596
DSSTox_GSID_40775
3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-
Terpene alcohol
alpha-Terpineol, analytical standard
Menth-1-en-8-ol
2-(4-methylcyclohex-3-enyl)propan-2-ol
CAS-8000-41-7
3-Cyclohexene-1-methanol,.alpha.4-trimethyl-
3-Cyclohexene-1-methanol, alpha,alpha,4-trimethyl-
Caswell No. 823
TERPIN MONOHYDRATE IMPURITY A (EP IMPURITY)
TERPIN MONOHYDRATE IMPURITY A [EP IMPURITY]
UNII-R53Q4ZWC99
-terpineol
Alfa_terpineol
MFCD00075926
alpha -Terpineol
DL a-terpineol
alphaTERPINEOL
Menthen-8-ol
203633-12-9
EINECS 232-268-1
EPA Pesticide Chemical Code 067005
1-p-Menthen-8-
.ALPHA.TERPINEOL
TERPINEOL, ALPHA
(+)-.alpha.-Terpineol
alpha-TERPINEOL (II)
3-Cyclohexene-1-methanol, .alpha.,.alpha.4-trimethyl-
EC 232-268-1
alpha-Terpineol, AldrichCPR
SCHEMBL28466
ALPHA-TERPINEOL [FCC]
3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-, (S)-
ALPHA-TERPINEOL [HSDB]
CHEMBL449810
R53Q4ZWC99
.ALPHA.-TERPINEOL [II]
.ALPHA.-TERPINEOL [MI]
ALFA-TERPINEOL [WHO-DD]
>80.0%(GC,sum of isomers)
.ALPHA.-TERPINEOL [FHFI]
HY-N5142
NSC21449
Tox21_112118
Tox21_200112
Tox21_302298
c0669
MFCD00166983
NSC403665
3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-, sodium salt, (1S)-
AKOS015840815
alpha-Terpineol, 90%, technical grade
MCULE-9798755896
SB45068
CAS-98-55-5
USEPA/OPP Pesticide Code: 067003
NCGC00248528-01
NCGC00255464-01
NCGC00257666-01
SY117295
alpha-Terpineol 1000 microg/mL in Acetone
DB-059206
+/--Terpineol 1000 microg/mL in n-Hexane
CS-0032554
NS00002240
T0022
T0984
2-(4-methyl-1-cyclohex-3-enyl)-propan-2-ol
D70165
EN300-125883
(1R)-a,a,4-trimethyl-3-cyclohexene-1-methanol
(S)-2-(4-Methyl-3-cyclohexen-1-yl)-2-propanol
SR-01000944873
J-500272
SR-01000944873-1
W-100076
3-cyclohexene-1-methanol, alpha, alpha, 4-trimethyl-
Q27109437
F0001-2319
Flavor and Extract Manufacturers' Association No. 3045
Z1255427148
alpha-Terpineol, primary pharmaceutical reference standard
3-CYCLOHEXENE-1-METHANOL, ALPHA., alpha, 4-TRIMETHYL-
3-CYCLOHEXENE-1-METHANOL, ALPHA., .ALPHA., 4-TRIMETHYL-
3-CYCLOHEXENE-1-METHYANOL, .ALPHA.,.ALPHA.,4-TRIMETHYL-, (S)-
22347-88-2
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
Molweight154.25
LogP1.8
Atoms11
Bonds1
H-bond Acceptor1
H-bond Donor1
Chemical Classificationalcohols terpenes
CHEBI-ID22469
Supernatural-IDSN0420414

mVOC Specific Details

Boiling Point
DegreeReference
218 °C peer reviewed
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)

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaHypoxylon AnthochroumNAMacías-Rubalcava et al. 2018
EukaryotaPiptoporus BetulinusnaSachsenwald near HamburgRösecke et al. 2000
EukaryotaHypoxylon Anthochroumnaendophytic in Bursera lancifoliaUlloa-Benítez et al. 2016
ProkaryotaCytophaga-Flavobacterium-Bacteroidesn/aNADickschat et al. 2005_3
ProkaryotaStigmatella Aurantiacan/aNADickschat et al. 2005_5
ProkaryotaSerratia Proteamaculansn/aNAErcolini et al. 2009
ProkaryotaPseudomonas Fragin/aNAErcolini et al. 2009
ProkaryotaStigmatella Aurantiacan/aNASchulz and Dickschat 2007
ProkaryotaBacillus SimplexReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.NAGu et al. 2007
ProkaryotaBacillus SubtilisReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.NAGu et al. 2007
ProkaryotaBacillus WeihenstephanensisReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.NAGu et al. 2007
ProkaryotaMicrobacterium OxydansReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.NAGu et al. 2007
ProkaryotaStenotrophomonas MaltophiliaReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.NAGu et al. 2007
ProkaryotaStreptomyces LateritiusReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.NAGu et al. 2007
ProkaryotaSerratia MarcescensReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.NAGu et al. 2007
ProkaryotaBacillus Pumiluspromotion of performance of Chlorella sorokiniana ShihNAAmavizca et al. 2017
ProkaryotaEscherichia Colipromotion of performance of Chlorella sorokiniana ShihNAAmavizca et al. 2017
EukaryotaGanoderma Lucidumnasaprophytic on deciduous treesCampos Ziegenbein et al. 2006
EukaryotaSpongiporus Leucomallellusnasaprophytic mostly on wet, old pinesCampos Ziegenbein et al. 2006
EukaryotaAntrodia CinnamomeananaLu et al. 2014
ProkaryotaLentilactobacillus BuchneriNANASquara et al. 2022
ProkaryotaLacticaseibacillus ParacaseiNANASquara et al. 2022
EukaryotaSaccharomyces CerevisiaeNANAHarris et al. 2021
EukaryotaMeyerozyma GuilliermondiiNANAZhao et al. 2022
EukaryotaSaccharomycopsis ViniNANAZhao et al. 2022
EukaryotaSaturnispora DiversaNANAZhao et al. 2022
Meyerozyma GuilliermondiiXiong et al. 2023
Kluyveromyces MarxianusJi et al. 2024
Saccharomyces CerevisiaeJi et al. 2024
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaHypoxylon Anthochroumrice medium (RM, 300g of rice and 300ml of water)SPME, GC-MSyes
EukaryotaPiptoporus BetulinusnaGC/MSno
EukaryotaHypoxylon AnthochroumPDA/WA + 500 mg l^-1 ChloramphenicolSPME-GC/MSno
ProkaryotaCytophaga-Flavobacterium-Bacteroidesn/an/ano
ProkaryotaStigmatella Aurantiacan/an/ano
ProkaryotaSerratia Proteamaculansn/an/ano
ProkaryotaPseudomonas Fragin/an/ano
ProkaryotaBacillus Simplexn/an/ano
ProkaryotaBacillus Subtilisn/an/ano
ProkaryotaBacillus Weihenstephanensisn/an/ano
ProkaryotaMicrobacterium Oxydansn/an/ano
ProkaryotaStenotrophomonas Maltophilian/an/ano
ProkaryotaStreptomyces Lateritiusn/an/ano
ProkaryotaSerratia Marcescensn/an/ano
ProkaryotaBacillus PumilusTSASPME-GCno
ProkaryotaEscherichia ColiTSASPME-GCno
EukaryotaGanoderma LucidumnaGC/MSno
EukaryotaSpongiporus LeucomallellusnaGC/MSno
EukaryotaAntrodia CinnamomeaPDAGC/MSyes
ProkaryotaLentilactobacillus Buchnerimaize silageHS-SPME coupled with GC-TOF MSno
ProkaryotaLacticaseibacillus Paracaseimaize silageHS-SPME coupled with GC-TOF MSno
EukaryotaSaccharomyces Cerevisiaemalt extract brothHS-SPME with GC-MSno
EukaryotaMeyerozyma Guilliermondiisynthetic grape juiceHS-SPMEno
EukaryotaSaccharomycopsis Vinisynthetic grape juiceHS-SPMEno
EukaryotaSaturnispora Diversasynthetic grape juiceHS-SPMEno
Meyerozyma GuilliermondiiYEPD, 10 g/L yeast extrac, 20 g/L peptone, 20 g dextroseGC-MS and GC-IMSno
Kluyveromyces MarxianusSauce Meat during StorageSPME–GC–MSno
Saccharomyces CerevisiaeSauce Meat during StorageSPME–GC–MSno