Results for:
PubChem ID: 64685

4,7,7-trimethylbicyclo[2.2.1]heptan-3-ol

Mass-Spectra

Compound Details

Synonymous names
Isocamphol
Isoborneol
Exoborneol
Isobornyl alcohol
DTGKSKDOIYIVQL-UHFFFAOYSA-N
Borneol
Sumatra camphor
Borneol Flakes
Borneo camphor
DL-Isoborneol
Bornyl alcohol
d-Borneol
Endo-2-hydroxycamphane
2-Bornanol
BORNEOL(ISO)
endo-2-Bornanol
AC1L21QK
Endo-2-camphanol
ACMC-1BKR6
DL-2-Bornanol
KSC270E0L
Isoborneol, DL-
2-exo-Bornyl alcohol
SCHEMBL56714
Borneol, exo-
CTK1H0205
V0292
CCRIS 6550
C01411
OR275178
BT000182
STK298903
CHEMBL1097205
BBL028096
OR229259
OR196027
OR019964
Jsp001628
AK305640
DTXSID8048159
BORNEOL, (L)
CHEBI:28093
NSC 26350
LS-45113
TRA0054032
(+)-Borneol
AN-45103
ANW-30448
(-)-Borneol
Borneol, contains ca. 40% Isoborneol
MFCD00066427
ST50308199
KB-295969
RTR-017407
ST24033578
TR-017407
TR-018141
DB-070732
DB-051843
CCG-231498
AKOS017278270
L-(-)-BORNEOL
AKOS000120036
BRN 2038056
4CH-024084
1,7,7-trimethylnorbornan-2-ol
Z966690516
I14-45306
exo-2-Hydroxy-1,7,7-trimethylnorbornane
I14-16551
(+/-)-Isoborneol
507-70-0
464-43-7
124-76-5
(+/-)-borneol
6627-72-1
MCULE-1539689950
EINECS 207-352-6
10385-78-1
SR-05000002386
MolPort-000-710-471
SR-05000002386-1
4,7,7-trimethylbicyclo[2.2.1]heptan-3-ol
1,7,7-Trimethylbicyclo[2.2.1]heptan-2-ol
1,7,7-Trimethylbicyclo(2.2.1)heptan-2-ol
Endo-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
exo-1,7,7-Trimethylbicyclo(2.2.1)-2-heptanol
exo-1,7,7-Trimethylbicyclo(2.2.1)heptan-2-ol
1,7,7-trimethyl-bicyclo[2.2.1]heptan-6-ol
Bicyclo(2.2.1)heptan-2-ol, 1,7,7-trimethyl-
1,7,7-Trimethylbicyclo[2.2.1]heptan-2-ol, exo- #
endo-(1R)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-ol
Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, exo-
Bicyclo(2.2.1)heptan-2-ol, 1,7,7-trimethyl-, (1R-endo)-
Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, (1S,2R,4S)-
Bicyclo(2.2.1)heptan-2-ol, 1,7,7-trimethyl-, (1R,2R,4R)-rel-
Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, (1R,2R,4R)-rel-
Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, (1R,2S,4R)-rel-
Bicyclo(2.2.1)heptan-2-ol, 1,7,7-trimethyl-, endo-(.+/-.)-
Microorganism:

Yes

IUPAC name4,7,7-trimethylbicyclo[2.2.1]heptan-3-ol
SMILESCC1(C2CCC1(C(C2)O)C)C
InchiInChI=1S/C10H18O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7-8,11H,4-6H2,1-3H3
FormulaC10H18O
PubChem ID64685
Molweight154.253
LogP1.99
Atoms29
Bonds30
H-bond Acceptor1
H-bond Donor1
Chemical ClassificationTerpenes Alcohols

mVOC Specific Details

Boiling Point
DegreeReference
212 deg CLarranaga, M.D., Lewis, R.J. Sr., Lewis, R.A.; Hawley's Condensed Chemical Dictionary 16th Edition. John Wiley & Sons, Inc. Hoboken, NJ 2016., p. 196
Volatilization
The Henry's Law constant for borneol is estimated as 1.38X10-5 atm-cu m/mole(SRC) derived from its vapor pressure, 5.0210-2 mm Hg(1), and water solubility, 738 mg/L(2). This Henry's Law constant indicates that borneol is expected to volatilize from water surfaces(3). 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)(3) is estimated as 2.2 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)(3) is estimated as 29 days(SRC). Borneol's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Borneol is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 5.02X10-2 mm Hg(1).
Literature: (1) Fichan I et al; J Chem Eng Data 44: 56-62 (1999) (2) Yalkowsky SH et al; Handbook of Aqueous Solubility Data 2nd ed., CRC Press, Boca Raton, FL p. 727 (2010) (3) 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, 738 mg/L at 25 deg C
Literature: Yalkowsky, S.H., He, Yan, Jain, P. Handbook of Aqueous Solubility Data Second Edition. CRC Press, Boca Raton, FL 2010, p. 727
Literature: #Slightly soluble in propylene glycol
Literature: Burdock, G.A. (ed.). Fenaroli's Handbook of Flavor Ingredients. 6th ed.Boca Raton, FL 2010, p. 170
Literature: #Soluble in alcohol and ether
Literature: Larranaga, M.D., Lewis, R.J. Sr., Lewis, R.A.; Hawley's Condensed Chemical Dictionary 16th Edition. John Wiley & Sons, Inc. Hoboken, NJ 2016., p. 196
Soil Adsorption
Using a structure estimation method based on molecular connectivity indices(1), the Koc of borneol can be estimated to be 76(SRC). According to a classification scheme(2), this estimated Koc value suggests that borneol 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 30, 2016: http://www2.epa.gov/tsca-screening-tools (2) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
5.02X10-2 mm Hg at 25 deg CFichan I et al; J Chem Eng Data, 44: 56-62(1999)

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaCytophaga-Flavobacteria-Bacteroides Groupn/aSchulz and Dickschat, 2007
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10063n/aDickschat et al., 2005_3
BacteriaNannocystis Exedens Subsp. Cinnabarina Na C29n/aDickschat et al., 2007
BacteriaSerratia Proteamaculans 42Mn/aErcolini et al., 2009
FungiGanoderma Lucidumnasaprophytic on deciduous treesZiegenbein et al., 2006
Method