CAS Number: 123-51-3
EC Number: 204-633-5
Linear Formula: (CH3)2CHCH2CH2OH
Molecular Weight: 88.15
Isopentanol is a colorless liquid with the formula C5H12O, specifically (H3C–)2CH–CH2–CH2–OH.
Isopentanol is one of several isomers of amyl alcohol (pentanol).
Isopentanol is also known as Isoamyl alcohol, Isopentyl alcohol, or (in the IUPAC recommended nomenclature) 3-methyl-butan-1-ol.
An obsolete name for Isopentanol was isobutyl carbinol.
Isopentanol is an ingredient in the production of banana oil, an ester found in nature and also produced as a flavouring in industry.
Isopentanol is a common fusel alcohol, produced as a major by-product of ethanol fermentation.
Isopentanol is a cyanobacterial volatile organic compound that has been identified as one of the main aroma/flavor constituents in banana fruit, karanda fruits and in whey spirit.
Isopentanol, also known as isopentyl alcohol or 3-methylbutanol, belongs to the class of organic compounds known as primary alcohols.
Primary alcohols are compounds comprising the primary alcohol functional group, with the general structure RCOH (R=alkyl, aryl).
Thus, Isopentanol is considered to be a fatty alcohol.
Isopentanol exists in all eukaryotes, ranging from yeast to plants to humans.
In yeast, Isopentanol is involved in the metabolic pathway called the leucine degradation pathway.
Based on a literature review a significant number of articles have been published on Isopentanol.
Isopentanol is a speciality solvent that finds extensive use for flavours and fragrances and is used in the production of many synthetic flavours.
Isopentanols relatively low eco-tox profile finds Isopentanol use growing in other areas.
Isopentanol is the main ingredient of Kovac’s Reagent used for the bacterial diagnostic Indole Test.
Isopentanols blend of properties makes it suitable for use as a foam suppressant, affecting the surface tension of micro-emulsions and causing foam breaking.
As a solvent, Isopentanol is finding increasing use in a wide number of industrial applications.
In solvency power, Isopentanol falls between common hydrocarbon solvents and lower molecular weight ketones.
Paraffin wax is soluble in hot Isopentanol.
In formulation, some high molecular weight esters and polar plastics incorporate Isopentanol-based systems e.g. cellulose esters.
Shellac and urea formaldehyde.
Isopentanol is a diluent in some printing inks, lacquers and gums.
In pharmaceuticals, Isopentanol is the initial raw material for a number of drug preparations such as Barbamil, Validol, Corvalol and Isoamyl nitrite.
A derivative of Isopentanol, the p-methoxycinnamate is used as a UV absorber in some cosmetic formulations, and Isopentanol itself finds application as a cosmetic flavouring and in perfume.
If you are interested in Isopentanol you may also like to visit the Isoamyl acetate page.
Isopentanol, also known as Isopentanol is a clear, colorless, liquid organic compound that is one of several isomers of amyl alcohol.
Isopentanol is a principal ingredient in the production of banana oil, a natural ester used in the flavoring industry.
Isopentanol is also used as an antifoaming agent in the Chloroform: Isomyl Alcohol reagent.
Isopentanol is a colorless, clear liquid with the chemical formula (CH3)2CHCH2CH2OH and the CAS # 123-51-3.
The nontoxic compound has a mild, choking disagreeable odor.
Isopentanol is less dense than water, soluble in water, and floats on water.
Isopentanols main use in industry is as a food additive and flavoring agent.
Isopentanol is manufactured from light petroleum by fractional distillation.
Applications of Isopentanol:
Isopentanol is used as a solvent for the preparation of synthetic fruit flavours, such as apricot, banana, cheery, greengage, malt, orange, plum and whiskey flavours, and is a raw material in the production of synthetic banana oil.
Isopentanol is one of the components of the aroma of the black truffle.
Isopentanol is also used for estimation of fat in milk and milk products.
Uses of Isopentanol:
Besides Isopentanols use in the synthesis of banana oil, Isopentanol is also an ingredient of Kovac's reagent, used for the bacterial diagnostic indole test.
Isopentanol is also used as an antifoaming agent in the chloroform Isopentanol reagent.
Isopentanol is used in a phenol–chloroform extraction mixed with the chloroform to further inhibit RNase activity and prevent solubility of RNAs with long tracts of poly-adenine.
Occurrence of Isopentanol:
Isopentanol is one of the components of the aroma of Tuber melanosporum, the black truffle.
The compound has also been identified as a chemical in the pheromone used by hornets to attract other members of the hive to attack.
Isoamyl acetate is a component of the natural aroma of bananas, especially the Gros Michel variety.
Extraction from fusel oil of Isopentanol:
Isopentanol can be separated from fusel oil by either of two methods: shaking with strong brine solution and separating the oily layer from the brine layer.
Distilling Isopentanol and collecting the fraction that boils between 125 and 140 °C.
Further purification is possible with this procedure: shaking Isopentanol with hot limewater, separating the oily layer, drying Isopentanol with calcium chloride, and distilling Isopentanol, collecting the fraction boiling between 128 and 132 °C.
Synthesis of Isopentanol:
Isopentanol can be synthesized by condensation of isobutene and formaldehyde which produces isoprenol and hydrogenation.
Isopentanol is a colourless liquid of density 0.8247 g/cm3 (0 °C), boiling at 131.6 °C, slightly soluble in water, and easily dissolved in organic solvents.
Isopentanol has a characteristic strong smell and a sharp burning taste.
Amyl alcohol has an oral LD50 of 200 mg/kg in mice, suggesting that Isopentanol is significantly more toxic than ethanol.
On passing the vapour through a red-hot tube, Isopentanol decomposes into acetylene, ethylene, propylene, and other compounds.
Isopentanol is oxidized by chromic acid to isovaleraldehyde, and Isopentanol forms addition compounds crystals with calcium chloride and tin(IV) chloride.
Identifiers of Isopentanol:
Synonym(s): Isopentyl alcohol, Isopentanol, 3-Methyl-1-butanol
Linear Formula: (CH3)2CHCH2CH2OH
CAS Number: 123-51-3
Molecular Weight: 88.15
FEMA Number: 2057
Beilstein/REAXYS Number: 1718835
EC Number: 204-633-5
Council of Europe no.: 51
MDL number: MFCD00002934
PubChem Substance ID: 24900824
Flavis number: 2.003
NACRES: NA.21
Product Name: Isopentanol
Empirical Formula: C5H12O
CAS Number: 123-51-3
Synonyms: 3-Methy-1-butanol, Isopentyl alcohol
Physical State: Colourless liquid
Odour: Pear drops, ester
Viscosity: 7.2mPas (at 21°C)
Solubility in water: 28g/L
Boiling Point: 131-132°C
CHEBI: 15837
ChEMBL: ChEMBL372396
ChemSpider: 29000
DrugBank: DB02296
ECHA InfoCard: 100.004.213
KEGG: C07328
PubChem CID: 31260
UNII: DEM9NIT1J4
CompTox Dashboard (EPA): DTXSID3025469
Properties of Isopentanol:
Chemical formula: C5H12O
Molar mass: 88.148 g/mol
Appearance: Clear, colorless liquid
Density: 0.8104 g/cm3 at 20 °C
Melting point: −117 °C (−179 °F; 156 K)
Boiling point: 131.1 °C (268.0 °F; 404.2 K)
Solubility in water: Slightly soluble, 28 g/L
Solubility: Very soluble in acetone, diethyl ether, ethanol
Vapor pressure: 28 mmHg (20 °C)
Magnetic susceptibility (χ): −68.96·10−6 cm3/mol
Viscosity: 3.692 mPa·s
Formula: C5H12O / (CH3)2CHCH2CH2OH
Molecular mass: 88.2
Boiling point: 132°C
Melting point: -117°C
Relative density (water = 1): 0.8
Solubility in water, g/100ml: 2.5 (moderate)
Vapour pressure, kPa at 20°C: 0.4
Relative vapour density (air = 1): 3.0
Relative density of the vapour/air-mixture at 20°C (air = 1): 1.01
Flash point: 42°C c.c.
Auto-ignition temperature: 340°C
Explosive limits, vol% in air: 1.2-10.5 (at 100°C)
Octanol/water partition coefficient as log Pow: 1.28
Viscosity: 4.67 mm²/s at 25°C
Names of Isopentanol:
Preferred IUPAC name of Isopentanol:
3-Methylbutan-1-ol
Other names of Isopentanol:
3-Methyl-1-butanol
Isopentyl alcohol
Isopentanol
Isobutylcarbinol
Synonyms of Isopentanol:
1-Butanol, 3-methyl-
1-Hydroxy-3-methylbutane
2-Methyl-4-butanol
3-Methyl-1-Butanol
3-Methyl-butan-(1)-ol
3-methyl-Butanol
3-Methylbutan-1-ol
3-methylbutanoI
3-Methylbutanol
3-Metil-butanolo
Alcool amilico
Alcool isoamylique
Amylowy alkohol
Butan-1-ol, 3-methyl
Butanol, 3-methyl-
Fermentation amyl alcohol
Fusel oil
Fuseloel
Huile de fusel
I-amyl alcohol
Iso-amyl alcohol
Iso-amylalkohol
Isopentanol
Isoamyl alkohol
Isoamylalcohol
isoamylol
Isobutyl carbinol
Isobutylcarbinol
Isopentan-1-ol
Isopentanol
Isopentyl alcohol
Isopentylalkohol
Methyl-3-butan-1-ol
primary Isopentanol
Isopentyl alcohol, 1-(14)C-labeled
Isopentyl alcohol, barium salt
Isopentyl alcohol, lead (2+) salt
Isopentyl alcohol, magnesium salt
Isopentyl alcohol, potassium salt
Isopentyl alcohol, sodium salt
Isopentyl alcohol, strontium salt
Isopentanol (3-methyl butanol)
Isopentanol (natural)
3-Methyl-1-butanol
Isopentyl alcohol
3-Methylbutan-1-ol
123-51-3
Isopentanol
3-Methylbutanol
1-Butanol, 3-methyl-
Isoamylol
Isobutylcarbinol
Iso-amylalkohol
Fusel Oil
Iso-amyl alcohol
2-Methyl-4-butanol
Isobutyl carbinol
ISOAMYLALCOHOL
Alcool isoamylique
Fermentation amyl alcohol
Alcool amilico
Amylowy alkohol
Isoamyl alkohol
i-Amyl Alcohol
Primary Isopentanol
3-Metil-butanolo
isopentan-1-ol
MFCD00002934
Isopentanol (natural)
isoamyl-alcohol
3-Methyl-Butan-1-Ol
Isopentanol, primary
UNII-DEM9NIT1J4
3-methyl-Butanol
NSC 1029
Methyl-3-butan-1-ol
Butan-1-ol, 3-methyl
DEM9NIT1J4
Fuseloel
Huile de fusel
CHEBI:15837
3-METHYL-BUTAN-(1)-OL
3-Methyl-1-butanol, ACS reagent
iso-pentanol
WLN: Q2Y1 & 1
3-Methyl-1-butanol, 98%, pure
FEMA Number 2057
Isoamyl alkohol [Czech]
Alcool amilico [Italian]
Amylowy alkohol [Polish]
Iso-amylalkohol [German]
1-Hydroxy-3-Methylbutane
Alcool isoamylique [French]
3-Metil-butanolo [Italian]
FEMA No. 2057
HSDB 605
EINECS 204-633-5
Isopentyl alcohol (8CI)
3-Methyl-1-butanol, 99%, for biochemistry, AcroSeal(R)
iso-amylalcohol
isopentylalcohol
Isopentylalkohol
AI3-15288
CCRIS 8806
3-methylbutanoI
3-methyl butanol
3-methyl 1-butanol
3-methyl-1 butanol
3-methylbutane-1-ol
Butanol, 3-methyl-
Isopentanol (primary and secondary)
ACMC-1ADLL
6423-06-9
DSSTox_CID_5469
EC 204-633-5
DSSTox_RID_77799
DSSTox_GSID_25469
3-Methyl-1-butanol, 98%
CHEMBL372396
QSPL 002
DTXSID3025469
Isopentanol, >=98%, FG
NSC1029
NSC7905
3-Methyl-1-butanol, for analysis
ZINC896830
Isopentanol (3-methyl butanol)
NSC-1029
NSC-7905
1-$l^{1}-oxidanyl-3-methylbutane
3-Methylbutanol, analytical standard
EINECS 229-179-5
Tox21_302359
7340AF
ANW-18132
LMFA05000108
STL282718
3-Methyl-1-butanol A.C.S. Reagent
3-Methyl-1-butanol, LR, >=98%
AKOS000118739
Magnesium bis(3-methylbutan-1-olate)
NATURAL Isopentanol P & F
DB02296
MCULE-7411270401
3-Methyl-1-butanol, mixture of isomers
3-Methyl-1-butanol, p.a., 99.8%
Isopentanol, natural, >=98%, FG
3-Methyl-1-butanol, analytical standard
NCGC00255329-01
3-Methyl-1-butanol, anhydrous, >=99%
CAS-123-51-3
3-Methyl-1-butanol, reagent grade, 98%
3-Methyl-1-butanol, technical grade, 95%
Isopentanol ULTRA PURE GRADE 1L
FT-0616032
I0289
1973-EP2281899A2
1973-EP2316937A1
3-Methyl-1-butanol, ACS reagent, >=98.5%
3-Methyl-1-butanol, biotech. grade, >=99%
3-Methyl-1-butanol, ReagentPlus(R), >=99%
C07328
74374-EP2269986A1
74374-EP2308857A1
74374-EP2380568A1
NATURAL Isopentanol - TECHNICAL GRADE
117932-EP2287147A2
117932-EP2298768A1
3-Methyl-1-butanol, SAJ first grade, >=96.0%
Q223101
3-Methyl-1-butanol, JIS special grade, >=98.0%
F0001-0367
Z955123582
UNII-2NK7O363Q6 component PHTQWCKDNZKARW-UHFFFAOYSA-N
3-Methylbutanol, BioReagent, for molecular biology, >=98.5%
3-Methylbutanol, puriss. p.a., ACS reagent, >=98.5% (GC)
3-Methylbutanol, BioUltra, for molecular biology, >=99.0% (GC)
3-Methyl-1-butanol, United States Pharmacopeia (USP) Reference Standard
3-Methylbutanol, p.a., ACS reagent, reag. ISO, reag. Ph. Eur., 98.5%