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Search term: OKKJLVBELUTLKV-UHFFFAOYAX
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Methanol, also known as methyl alcohol, wood alcohol, wood naphtha or wood spirits, is a chemical with formula CH3OH (often abbreviated MeOH). It is the simplest alcohol, and is a light, volatile, colorless, flammable, liquid with a distinctive odor that is very similar to but slightly sweeter than ethanol (drinking alcohol). At room temperature it is a polar liquid and is used as an antifreeze, solvent, fuel, and as a denaturant for ethanol. It is also used for producing biodiesel via transesterification reaction.
Methanol is produced naturally in the anaerobic metabolism of many varieties of bacteria, and is ubiquitous in the environment. As a result, there is a small fraction of methanol vapor in the atmosphere. Over the course of several days, atmospheric methanol is oxidized with the help of sunlight to carbon dioxide and water.
Methanol burns in air forming carbon dioxide and water:
: 2 CH 3OH + 3 O 2 → 2 CO 2 + 4 H 2O
A methanol flame is almost colorless in bright sunlight.
Because of its toxic properties, methanol is frequently used as a denaturant additive for ethanol manufactured for industrial uses — this addition of methanol exempts industrial ethanol from liquor excise taxation. Methanol is often called wood alcohol because it was once produced chiefly as a byproduct of the destructive distillation of wood.
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Links & References
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The URL links to the dataset on QSAR world. 322 organic compounds, with fathead minnow acute toxicity as activity of interest, have been given in the paper.
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E. L. Willighagen, H. M. G. W. Denissen, R. Wehrens, and L. M. C. Buydens.
On the Use of 1H and 13C 1D NMR Spectra as QSPR Descriptors, J. Chem. Inf. Model., 46 (2), 487-494, 2006
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User Data
- experimental physchem properties
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The melting point of a crystalline solid is the temperature range at which it changes state from solid to liquid. See also: Melting Point
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The melting point of a crystalline solid is the temperature range at which it changes state from solid to liquid. See also: Melting Point
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The melting point of a crystalline solid is the temperature range at which it changes state from solid to liquid. See also: Melting Point
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The melting point of a crystalline solid is the temperature range at which it changes state from solid to liquid. See also: Melting Point
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The melting point of a crystalline solid is the temperature range at which it changes state from solid to liquid. See also: Melting Point
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The melting point of a crystalline solid is the temperature range at which it changes state from solid to liquid. See also: Melting Point
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The melting point of a crystalline solid is the temperature range at which it changes state from solid to liquid. See also: Melting Point
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The melting point of a crystalline solid is the temperature range at which it changes state from solid to liquid. See also: Melting Point
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The melting point of a crystalline solid is the temperature range at which it changes state from solid to liquid. See also: Melting Point
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The melting point of a crystalline solid is the temperature range at which it changes state from solid to liquid. See also: Melting Point
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The boiling point of a liquid is the temperature at which the vapor pressure of the liquid equals the environmental pressure surrounding the liquid. See also: Boiling Point
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The boiling point of a liquid is the temperature at which the vapor pressure of the liquid equals the environmental pressure surrounding the liquid. See also: Boiling Point
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The boiling point of a liquid is the temperature at which the vapor pressure of the liquid equals the environmental pressure surrounding the liquid. See also: Boiling Point
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The boiling point of a liquid is the temperature at which the vapor pressure of the liquid equals the environmental pressure surrounding the liquid. See also: Boiling Point
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The boiling point of a liquid is the temperature at which the vapor pressure of the liquid equals the environmental pressure surrounding the liquid. See also: Boiling Point
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The boiling point of a liquid is the temperature at which the vapor pressure of the liquid equals the environmental pressure surrounding the liquid. See also: Boiling Point
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The boiling point of a liquid is the temperature at which the vapor pressure of the liquid equals the environmental pressure surrounding the liquid. See also: Boiling Point
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The boiling point of a liquid is the temperature at which the vapor pressure of the liquid equals the environmental pressure surrounding the liquid. See also: Boiling Point
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The boiling point of a liquid is the temperature at which the vapor pressure of the liquid equals the environmental pressure surrounding the liquid. See also: Boiling Point
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The boiling point of a liquid is the temperature at which the vapor pressure of the liquid equals the environmental pressure surrounding the liquid. See also: Boiling Point
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The boiling point of a liquid is the temperature at which the vapor pressure of the liquid equals the environmental pressure surrounding the liquid. See also: Boiling Point
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The flash point of a flammable liquid is the lowest temperature at which it can form an ignitable mixture in air. See also: Flash Point
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The flash point of a flammable liquid is the lowest temperature at which it can form an ignitable mixture in air. See also: Flash Point
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The flash point of a flammable liquid is the lowest temperature at which it can form an ignitable mixture in air. See also: Flash Point
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The flash point of a flammable liquid is the lowest temperature at which it can form an ignitable mixture in air. See also: Flash Point
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The flash point of a flammable liquid is the lowest temperature at which it can form an ignitable mixture in air. See also: Flash Point
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The flash point of a flammable liquid is the lowest temperature at which it can form an ignitable mixture in air. See also: Flash Point
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The flash point of a flammable liquid is the lowest temperature at which it can form an ignitable mixture in air. See also: Flash Point
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The flash point of a flammable liquid is the lowest temperature at which it can form an ignitable mixture in air. See also: Flash Point
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The flash point of a flammable liquid is the lowest temperature at which it can form an ignitable mixture in air. See also: Flash Point
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The flash point of a flammable liquid is the lowest temperature at which it can form an ignitable mixture in air. See also: Flash Point
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The flash point of a flammable liquid is the lowest temperature at which it can form an ignitable mixture in air. See also: Flash Point
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Specific gravity is defined as the ratio of the density of a given substance to the density of water, when both are at the same temperature. See also: Specific Gravity
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Specific gravity is defined as the ratio of the density of a given substance to the density of water, when both are at the same temperature. See also: Specific Gravity
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Specific gravity is defined as the ratio of the density of a given substance to the density of water, when both are at the same temperature. See also: Specific Gravity
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Specific gravity is defined as the ratio of the density of a given substance to the density of water, when both are at the same temperature. See also: Specific Gravity
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Specific gravity is defined as the ratio of the density of a given substance to the density of water, when both are at the same temperature. See also: Specific Gravity
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Specific gravity is defined as the ratio of the density of a given substance to the density of water, when both are at the same temperature. See also: Specific Gravity
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Specific gravity is defined as the ratio of the density of a given substance to the density of water, when both are at the same temperature. See also: Specific Gravity
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Specific gravity is defined as the ratio of the density of a given substance to the density of water, when both are at the same temperature. See also: Specific Gravity
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Specific gravity is defined as the ratio of the density of a given substance to the density of water, when both are at the same temperature. See also: Specific Gravity
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Specific gravity is defined as the ratio of the density of a given substance to the density of water, when both are at the same temperature. See also: Specific Gravity
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The refractive index (or index of refraction) of a medium is a measure for how much the speed of light (or other waves such as sound waves) is reduced inside the medium. See also: Refraction Index
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The refractive index (or index of refraction) of a medium is a measure for how much the speed of light (or other waves such as sound waves) is reduced inside the medium. See also: Refraction Index
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The refractive index (or index of refraction) of a medium is a measure for how much the speed of light (or other waves such as sound waves) is reduced inside the medium. See also: Refraction Index
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The refractive index (or index of refraction) of a medium is a measure for how much the speed of light (or other waves such as sound waves) is reduced inside the medium. See also: Refraction Index
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The refractive index (or index of refraction) of a medium is a measure for how much the speed of light (or other waves such as sound waves) is reduced inside the medium. See also: Refraction Index
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The refractive index (or index of refraction) of a medium is a measure for how much the speed of light (or other waves such as sound waves) is reduced inside the medium. See also: Refraction Index
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The refractive index (or index of refraction) of a medium is a measure for how much the speed of light (or other waves such as sound waves) is reduced inside the medium. See also: Refraction Index
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The refractive index (or index of refraction) of a medium is a measure for how much the speed of light (or other waves such as sound waves) is reduced inside the medium. See also: Refraction Index
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The refractive index (or index of refraction) of a medium is a measure for how much the speed of light (or other waves such as sound waves) is reduced inside the medium. See also: Refraction Index
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- miscellaneous
Validated by Experts, Validated by Users, Non-Validated, Removed by Users,
Redirected by Users, Redirect Approved by Experts
1849-29-2
[RN]
212-378-6
[EINECS/ELINCS]
215-933-0
[EINECS/ELINCS]
217-435-9
[EINECS/ELINCS]
811-98-3
[RN]
Hydroxymethane
Methanol
[Wiki]
Alcool methylique
Alcool metilico
Metanolo
More...
Metylowy alkohol
Pyro alcohol
Spirit of wood
1098229
[Beilstein]
1455-13-6
[RN]
200-659-6
[EINECS/ELINCS]
54841-71-3
[RN]
67-56-1
[RN]
Alcohol, methyl
Alcohol, Wood
Alcool methylique [French]
Alcool metilico [Italian]
Bieleski's solution
bmse000294
carbinol
[Wiki]
CH3OH
[Formula]
Coat-B1400
Colonial Spirit
Colonial spirits
Columbian Spirit
Columbian spirits
D000432
Eureka Products Criosine Disinfectant
Eureka Products, Criosine
Freers Elm Arrester
Ideal Concentrated Wood Preservative
JandaJel-OH
MeOH
Metanol
[Spanish]
Metanol [Spanish]
Metanolo [Italian]
Methanol solution
Methanol, or methyl alcohol [UN1230] [Flammable liquid, Poison]
Methoxide, Sodium
methyl alcohol
Methyl hydrate
Methyl hydroxide
Methylalkohol
Methylalkohol [German]
Methylol
Metylowy alkohol [Polish]
MFCD00004595
Monohydroxymethane
Pyroligneous spirit
Pyroxylic Spirit
Pyroxylic spirits
Sodium methoxide
Surflo-B17
Wilbur-Ellis Smut-Guard
wood alcohol
wood naphtha
wood spirit
X-Cide 402 Industrial Bactericide
Less...
Validated by Experts, Validated by Users, Non-Validated, Removed by Users,
Redirected by Users, Redirect Approved by Experts
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ACD/LogP: |
-0.72
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# of Rule of 5 Violations: |
0
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ACD/LogD (pH 5.5): |
-0.72
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ACD/LogD (pH 7.4): |
-0.72
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ACD/BCF (pH 5.5): |
1
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ACD/BCF (pH 7.4): |
1
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ACD/KOC (pH 5.5): |
9.68
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ACD/KOC (pH 7.4): |
9.68
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#H bond acceptors: |
1
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#H bond donors: |
1
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#Freely Rotating Bonds: |
0
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Polar Surface Area: |
9.23
Å2
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Index of Refraction: |
1.31
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Molar Refractivity: |
8.21
cm3
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Molar Volume: |
42.5
cm3
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Polarizability: |
3.25
10-24cm3
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Surface Tension: |
18.8
dyne/cm
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Density: |
0.753
g/cm3
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Flash Point: |
11.1
°C
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Enthalpy of Vaporization: |
35.21
kJ/mol
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Boiling Point: |
48.1
°C at 760 mmHg
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Vapour Pressure: |
265
mmHg at 25°C
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Log Octanol-Water Partition Coef (SRC):
Log Kow (KOWWIN v1.67 estimate) = -0.63
Log Kow (Exper. database match) = -0.77
Exper. Ref: Hansch,C et al. (1995)
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
Boiling Pt (deg C): 39.35 (Adapted Stein & Brown method)
Melting Pt (deg C): -101.00 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 119 (Mean VP of Antoine & Grain methods)
MP (exp database): -97.6 deg C
BP (exp database): 64.7 deg C
VP (exp database): 1.27E+02 mm Hg at 25 deg C
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 1e+006
log Kow used: -0.77 (expkow database)
no-melting pt equation used
Water Sol (Exper. database match) = 1e+006 mg/L (25 deg C)
Exper. Ref: RIDDICK,JA ET AL. (1986)
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 1e+006 mg/L
Wat Sol (Exper. database match) = 1000000.00
Exper. Ref: RIDDICK,JA ET AL. (1986)
ECOSAR Class Program (ECOSAR v0.99h):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
Bond Method : 4.27E-006 atm-m3/mole
Group Method: 3.62E-006 atm-m3/mole
Exper Database: 4.55E-06 atm-m3/mole
Henrys LC [VP/WSol estimate using EPI values]: 5.017E-006 atm-m3/mole
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: -0.77 (exp database)
Log Kaw used: -3.730 (exp database)
Log Koa (KOAWIN v1.10 estimate): 2.960
Log Koa (experimental database): 2.880
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.8910
Biowin2 (Non-Linear Model) : 0.9752
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.2883 (days-weeks )
Biowin4 (Primary Survey Model) : 3.9310 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.7784
Biowin6 (MITI Non-Linear Model): 0.9324
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.8893
Ready Biodegradability Prediction: YES
Hydrocarbon Biodegradation (BioHCwin v1.01):
Structure incompatible with current estimation method!
Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
Vapor pressure (liquid/subcooled): 1.69E+004 Pa (127 mm Hg)
Log Koa (Exp database): 2.880
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 1.77E-010
Octanol/air (Koa) model: 1.86E-010
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 6.4E-009
Mackay model : 1.42E-008
Octanol/air (Koa) model: 1.49E-008
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 0.6160 E-12 cm3/molecule-sec
Half-Life = 17.364 Days (12-hr day; 1.5E6 OH/cm3)
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi): 1.03E-008 (Junge,Mackay)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (PCKOCWIN v1.66):
Koc : 1
Log Koc: 0.000
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
Rate constants can NOT be estimated for this structure!
Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
Log BCF from regression-based method = 0.500 (BCF = 3.162)
log Kow used: -0.77 (expkow database)
Volatilization from Water:
Henry LC: 4.55E-006 atm-m3/mole (Henry experimental database)
Half-Life from Model River: 73.41 hours (3.059 days)
Half-Life from Model Lake : 848.3 hours (35.35 days)
Removal In Wastewater Treatment:
Total removal: 2.10 percent
Total biodegradation: 0.09 percent
Total sludge adsorption: 1.75 percent
Total to Air: 0.26 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 10.4 272 1000
Water 40.1 208 1000
Soil 49.5 416 1000
Sediment 0.0694 1.87e+003 0
Persistence Time: 259 hr
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