CAS No.78-83-1,2-Methyl-1-propanol Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	78-83-1
Name:	2-Methyl-1-propanol
Article Data:	362

Formula:	C₄H₁₀O
Molecular Weight:	74.1228
Synonyms:	2-Methylpropyl alcohol;1-propanol, 2-methyl-;Isobutylalkohol [Czech];Alcool isobutylique [French];Alcool isobutylique;Isopropylcarbinol;Aluminium 2-methylpropanolate;1-Propanol,2-methyl-;2-Methylpropanol-1;2-Methyl propanol;Isobutanol or isobutyl alcohol [UN1212] [Flammable liquid];2-Methylpropan-1-ol;Isobutyl alcohol (natural);Iso-butyl alcohol;FEMA No. 2179;1-Hydroxymethylpropane;4-01-00-01588 (Beilstein Handbook Reference);Isobutylalkohol;Natural Isobutyl Alcohol;iso-Butyl Alcohol, Reagent;Isobutyl Alcohol;Isobutanol;
EINECS:	201-148-0
Density:	0.802 g/cm³
Melting Point:	-108 °C
Boiling Point:	105.039 °C at 760 mmHg
Flash Point:	27.778 °C
Solubility:	95 g/L (20 °C) in water
Appearance:	colorless liquid
Hazard Symbols:	Xi
Risk Codes:	10-37/38-41-67
Safety:	13-26-37/39-46-7/9
Transport Information:	UN 1212 3/PG 3
PSA:	20.23000
LogP:	0.63470

Synthetic route

: 558-30-5
2-methyl-1,2-epoxypropane

A: 78-83-1
2-methyl-propan-1-ol

B: 78-84-2
isobutyraldehyde

Conditions

Conditions	Yield
With hydrogen; chromium(III) oxide; copper at 140℃; under 26252.1 Torr; for 0.666667h;	A 98.1% B 1.9%

: 18269-50-6
isobutoxytrimethylsilane

: 78-83-1
2-methyl-propan-1-ol

Conditions

Conditions	Yield
With methanol; 1,3-disulfonic acid imidazolium hydrogen sulfate at 20℃; for 0.0666667h; Green chemistry;	97%

: 75-65-0
tert-butyl alcohol

A: 78-83-1
2-methyl-propan-1-ol

B: 7732-18-5
water

C: 115-11-7
isobutene

Conditions

Conditions	Yield
aluminum oxide at 315.546℃; under 11103.3 Torr;	A 1.4% B 1.1% C 96.4%

...Expand

: 71412-40-3
N,N'-(4-methyl-m-phenylene)-bis-carbamic acid diisobutyl ester

A: 78-83-1
2-methyl-propan-1-ol

B: 584-84-9
2,4-Toluene diisocyanate

Conditions

Conditions	Yield
In 1,2,4-Trichlorobenzene at 120 - 350℃; under 7500.75 Torr; Product distribution / selectivity; Industry scale;	A n/a B 92.9%

: 97-72-3
2-Methylpropionic anhydride

: 78-83-1
2-methyl-propan-1-ol

Conditions

Conditions	Yield
With [Zn(BH4)2(py)] In tetrahydrofuran for 2.5h; Heating;	92%

: 78-84-2
isobutyraldehyde

: 78-83-1
2-methyl-propan-1-ol

Conditions

Conditions	Yield
With sodium tetrahydroborate; Dowex1-x8 In tetrahydrofuran at 20℃; for 0.3h;	90%
gadolinium(III) isopropoxide In isopropyl alcohol at 30℃; for 2h;	74%
With PEG-bound sodium benzoyloxyborohydride In toluene at 21 - 23℃; for 2h;	66%

: 187737-37-7
propene

: 201230-82-2
carbon monoxide

A: 78-83-1
2-methyl-propan-1-ol

B: 71-36-3
butan-1-ol

Conditions

Conditions	Yield
Stage #1: propene; carbon monoxide With hydrogen; triphenylphosphine; acetylacetonatodicarbonyl triphenylphosphine Rhodium (ROPAC) at 89℃; for 240h; Inert atmosphere; Stage #2: With hydrogen; Raney-nickel at 110℃; under 18751.9 Torr; for 90h; Product distribution / selectivity; Inert atmosphere;	A 8.6% B 87.1%
Stage #1: propene; carbon monoxide With carbonyl-2,4-pentanedionato(triphenylphosphine)rhodium(I); hydrogen; triphenylphosphine at 89℃; under 11251.1 - 13501.4 Torr; for 240h; Industrial scale; Stage #2: With hydrogen at 110℃; under 18751.9 Torr; for 90h; Industrial scale;	A 8.6% B 87.1%
Stage #1: propene; carbon monoxide With (acetylacetonato)dicarbonylrhodium (l); tris(triphenylphosphine)ruthenium(II) chloride; hydrogen; triphenylphosphine In toluene at 19.84 - 49.84℃; under 23289.8 Torr; for 4h; Autoclave; Stage #2: With hydrogen In toluene at 49.84 - 99.84℃; under 25877.6 Torr; for 4h; Autoclave;

...Expand

: 73198-21-7
Isobutylmethyl(p-nitrophenyl)sulfonium perchlorate

A: 67-56-1
methanol

B: 78-83-1
2-methyl-propan-1-ol

C: 701-57-5
1-methylthio-4-nitro-benzene

D: Isobutyl p-nitrophenyl sulfide

Conditions

Conditions	Yield
With water Mechanism; Product distribution;	A n/a B n/a C 15% D 85%

...Expand

: 79-31-2
isobutyric Acid

: 78-83-1
2-methyl-propan-1-ol

Conditions

Conditions	Yield
With lithium aluminium tetrahydride In diethyl ether at 0℃; for 6h;	80%
With diphenylamine borane In dichloromethane 1.) 0 deg C, 1 h, 2.) 20 deg C, 1 h;	72%
With hydrogen In n-heptane at 123℃; under 41372.9 Torr; for 4h; Catalytic behavior; Reagent/catalyst; Solvent; Temperature; Time; Pressure; Autoclave;
With hydrogen In hexane at 130℃; under 15001.5 Torr; for 18h; Molecular sieve; chemoselective reaction;	83 %Chromat.
With methanol; CuO on mesoporous silica at 360℃; Reagent/catalyst;

: 84110-40-7
Dihydroxy-isobutyl-boran

: acetonitrile complex of hypofluorous acid

: 78-83-1
2-methyl-propan-1-ol

Conditions

Conditions	Yield
In dichloromethane at 20℃;	80%

Raw Materials

67-56-1

75-28-5

13195-76-1

75-30-9

97-62-1

628-55-7

32767-68-3

75-07-0

Downstream Products

22117-97-1

97-86-9

71-36-3

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Consensus Reports

Reported in EPA TSCA Inventory.

Standards and Recommendations

OSHA PEL: TWA 50 ppm
ACGIH TLV: TWA 50 ppm
DFG MAK: 100 ppm (310 mg/m³)
DOT Classification: 3; Label: Flammable Liquid

Analytical Methods

For occupational chemical analysis use NIOSH: Alcohols II, 1401.

Specification

Isobutanol, also known as Isobutyl alcohol, is colorless, flammable liquid with a characteristic smell has three isomers including n-butanol, 2-butanol, and tert-butanol. Isobutanol is miscible with ethanol and ether. What's more, it is mainly used as a solvent. Compared to ethanol, isobutanol is better candidates for gasoline replacement because it has an energy density.

Preparation: Isobutanol can be obtained by many methods.

1. Carbonyl synthesis: Use propylene and syngas as raw material. Firstly, n-butyraldehyde and iso-butyraldehyde is synthesized by carbonyl synthesis. Secondly, take off the catalyst and be hydrogenated to get n-butanol and isobutanol. Finally, separate the n-butanol and isobutanol by dehydration.

Preparation of Isobutanol

2. Isobutyraldehyde hydrogenation: Isobutyraldehyde goes through liquid-phase hydrogenation reaction in the presence of nickel, then the isobutanol is obtained.

3. Recovered from the byproduct isobutyl oil from production of methanol: isobutyl oil is the byproduct of rectification in the production of methanol. After removal of methanol, salting out, dehydration, and azeotropic distillation, the isobutanol is obtained.

4. Use industrial isobutanol as raw material. Add calcium oxide to dehydrate and dry. Then steam out of isobutanol after 5h. Distillate goes through rectification to get pure product. Azeotropic distillation with cyclohexane, anhydrous isobutanol can be obtained.

Uses: Isobutanol is widely used in technology and industry.

1. Isobutanol is used as a cosolvent of cellulose nitrate and solvent of ethyl cellulose, polyvinyl butyral, a variety of oils, rubber, natural resin.

2. Isobutanol is mainly used as raw material in the production of diisobutyl phthalate which is used as plasticiser and isobutyl acetate which is used in the manufacture of lacquer and similar coatings, in the food industry as a flavouring agent and as diluent of adhesive. There is a small part for the production of isobutyl butyrate, isobutyl lactate, etc.

3. Isobutanol is used as reagent in the determination of calcium, strontium, barium, sodium, potassium, lithium, silver, chlorine and phosphite. It is also used as chemical extractant in production of organic compounds, as mobile phase in thin layer chromatography.

4. In addition, isobutanol is used as paint solvent, varnish remover and ink ingredient.

Safty: Isobutanol is not only irritating to respiratory system and skin, but also has serious damage to the eyes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If swallowed, seek medical advice immediately and show this container or label. Vapours may cause drowsiness and dizziness. Keep it away from food, drink and animal foodstuffs. The Canadian government announced a ban on isobutanol use in cosmetics in March 2009.

Structure Descriptors:
1. Smiles:C(CO)(C)C
2. InChI:InChI=1/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3

Toxicity:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
cat	LDLo	intravenous	725mg/kg (725mg/kg)		Journal of Pharmacology and Experimental Therapeutics. Vol. 16, Pg. 1, 1920.
guinea pig	LD50	intraperitoneal	1201mg/kg (1201mg/kg)		EHP, Environmental Health Perspectives. Vol. 61, Pg. 321, 1985.
hamster	LD50	intraperitoneal	1401mg/kg (1401mg/kg)		EHP, Environmental Health Perspectives. Vol. 61, Pg. 321, 1985.
mouse	LD50	intraperitoneal	544mg/kg (544mg/kg)	LIVER: OTHER CHANGES	Research Communications in Chemical Pathology and Pharmacology. Vol. 26, Pg. 75, 1979.
mouse	LD50	intravenous	417mg/kg (417mg/kg)		EHP, Environmental Health Perspectives. Vol. 61, Pg. 321, 1985.
rabbit	LD50	intraperitoneal	323mg/kg (323mg/kg)		EHP, Environmental Health Perspectives. Vol. 61, Pg. 321, 1985.
rabbit	LD50	skin	3400mg/kg (3400mg/kg)		Raw Material Data Handbook, Vol.1: Organic Solvents, 1974. Vol. 1, Pg. 11, 1974.
rabbit	LDLo	oral	3750mg/kg (3750mg/kg)	BEHAVIORAL: GENERAL ANESTHETIC	Journal of Laboratory and Clinical Medicine. Vol. 10, Pg. 985, 1925.
rat	LCLo	inhalation	8000ppm/4H (8000ppm)		AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954.
rat	LD50	intraperitoneal	720mg/kg (720mg/kg)		EHP, Environmental Health Perspectives. Vol. 61, Pg. 321, 1985.
rat	LD50	intravenous	340mg/kg (340mg/kg)		EHP, Environmental Health Perspectives. Vol. 61, Pg. 321, 1985.
rat	LD50	oral	2460mg/kg (2460mg/kg)		AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954.