CAS No.67-63-0,Isopropanol Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	67-63-0
Name:	Isopropanol
Article Data:	879
Cas Database

Formula:	C₃H₈O
Molecular Weight:	60.0959
Synonyms:	Isopropylalcohol (8CI);1-Methylethanol;1-Methylethyl alcohol;2-Hydroxypropane;2-Propyl alcohol;Alcojel;Alcosolve2;Autosept;Avantin;Avantine;Combi-Schutz;Dimethylcarbinol;Hartosol;IPS 1;IPS 1 (alcohol);Imsol A;Isohol;Isopropyl alcohol;
EINECS:	200-661-7
Density:	0.791 g/cm³
Melting Point:	-89.5 °C
Boiling Point:	72.993 °C at 760 mmHg
Flash Point:	11.667 °C
Solubility:	miscible with water, ethanol, ether and chloroform
Appearance:	colourless liquid
Hazard Symbols:	Xi,F,Xn
Risk Codes:	11-36-67-40-10-36/38
Safety:	7-16-24/25-26-36/37
Transport Information:	UN 1219 3/PG 2
PSA:	20.23000
LogP:	0.38710

Synthetic route

: 67-64-1
acetone

: 67-63-0
isopropyl alcohol

Conditions

Conditions	Yield
With hydrogen; mer-Os(PPh3)3HBr(CO) In toluene at 150℃; under 51680 Torr; for 3h;	100%
With hydrogen; sodium methylate; chromium(0) hexacarbonyl In methanol at 120℃; under 75006 Torr; for 3h;	100%
With hydrogen; Ru((R,R)-cyP2N2)HCl In benzene-d6 at 20℃; under 2280.15 Torr; for 12h; Product distribution / selectivity; Alkaline conditions; Cooling with liquid nitrogen;	100%

: 67-56-1
methanol

: 108-21-4
Isopropyl acetate

A: 79-20-9
acetic acid methyl ester

B: 67-63-0
isopropyl alcohol

Conditions

Conditions	Yield
With triethylamine at 20℃; under 8250660 Torr; for 2h; Product distribution;	A 100% B n/a

...Expand

: 67-56-1
methanol

: 939-48-0
isopropyl benzoate

A: 93-58-3
benzoic acid methyl ester

B: 67-63-0
isopropyl alcohol

Conditions

Conditions	Yield
With triethylamine at 20℃; under 8250660 Torr; for 2h; Product distribution;	A 100% B n/a

...Expand

: 546-68-9
titanium(IV) isopropylate

A: titanium(IV) oxide

B: 67-63-0
isopropyl alcohol

Conditions

Conditions	Yield
In gas byproducts: CH3CHCH2; decomposition at a pressure of ca. 0.01 mm of Hg at 700°C; org. compounds collected in a liquid-N2 trap; NMR; GC; mass spectra;	A n/a B 100%

: 25443-56-5
hexakis[μ-(2-propanolato)]hexakis(2-propanolato)tetraaluminum

: 107-96-0
3-mercaptopropionic acid

A: aluminium(isopropoxide)(OCOCH2CH2SH)2

B: 67-63-0
isopropyl alcohol

Conditions

Conditions	Yield
In benzene exclusion of moisture, addn. of 3-mercaptopropionic acid in benzene to Al(OiPr)3 in benzene (molar ratio 2:1), refluxing; elem. anal.;	A 100% B n/a

...Expand

: 110-85-0
piperazine

: 546-68-9
titanium(IV) isopropylate

: 3159-07-7
dibenzo[b,f][1,4]thiazepin-11-one

A: 5747-48-8
11-(1-piperazinyl)dibenzo[b,f][1,4]thiazepine

B: 67-63-0
isopropyl alcohol

Conditions

Conditions	Yield
at 170℃; for 5h; Heating / reflux;	A 99% B n/a

...Expand

: 25443-56-5
hexakis[μ-(2-propanolato)]hexakis(2-propanolato)tetraaluminum

: 107-96-0
3-mercaptopropionic acid

A: aluminium(isopropoxide)2(OCOCH2CH2SH)

B: 67-63-0
isopropyl alcohol

Conditions

Conditions	Yield
In benzene exclusion of moisture, addn. of 3-mercaptopropionic acid in benzene to Al(OiPr)3 in benzene (molar ratio 1:1), refluxing; elem. anal.;	A 99% B n/a

...Expand

: 23329-69-3, 454677-87-3
cis-di-2-propanolato-bis(8-quinolinato)-titanium(IV)

: 3526-45-2
2-((phenylamino)methyl)phenol

A: (N-(phenyl)benzylamine-2-ato)-bis(8-quinolinato)-titanium(IV)

B: 67-63-0
isopropyl alcohol

Conditions

Conditions	Yield
In toluene at 100 - 120℃; for 4 - 5h; Heating;	A 98.7% B n/a

...Expand

: 4-bromo-2-((p-tolylamino)methyl)phenol

: 23329-69-3, 454677-87-3
cis-di-2-propanolato-bis(8-quinolinato)-titanium(IV)

A: (N-(4-methylphenyl)-5-bromobenzylamine-2-ato)-bis(8-quinolinato)titanium(IV)

B: 67-63-0
isopropyl alcohol

Conditions

Conditions	Yield
In toluene at 100 - 120℃; for 4 - 5h; Heating;	A 98.6% B n/a

...Expand

: 23329-69-3, 454677-87-3
cis-di-2-propanolato-bis(8-quinolinato)-titanium(IV)

: 7193-94-4
2-((4-chlorophenylamino)methyl)phenol

A: (N-(4-chlorophenyl)benzylamine-2-ato)-bis(8-quinolinato)titanium(IV)

B: 67-63-0
isopropyl alcohol

Conditions

Conditions	Yield
In toluene at 100 - 120℃; for 4 - 5h; Heating;	A 98.6% B n/a

...Expand

Raw Materials

769-42-6

119-65-3

107-10-8

118399-01-2

123-42-2

75-84-3

50-99-7

Downstream Products

527-84-4

108-88-3

Total:137 Page 1 of 4 1 2 3 4 Next>>

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Specification

Isopropanol, also known as isopropyl alcohol, is a colorless, flammable liquid with with a characteristic alcohol / acetone-like odor. It has an isomer propanol. And it is miscible with water, ethanol, ether and chloroform. Because the alcohol is much less soluble in saline solutions than in salt-free water, add a salt such as sodium chloride, sodium sulfate, or any of several other inorganic salts can separate the isopropanol from aqueous solutions.

Physical properties about Isopropanol are: (1)ACD/LogP: 0.173; (2)ACD/LogD (pH 5.5): 0.17; (3)ACD/LogD (pH 7.4): 0.17; (4)ACD/BCF (pH 5.5): 1.00; (5)ACD/BCF (pH 7.4): 1.00; (6)ACD/KOC (pH 5.5): 29.59; (7)ACD/KOC (pH 7.4): 29.59; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.376; (12)Molar Refractivity: 17.441 cm³; (13)Molar Volume: 75.938 cm³; (14)Polarizability: 6.914 10-24cm³; (15)Surface Tension: 22.6280002593994 dyne/cm; (16)Density: 0.791 g/cm³; (17)Flash Point: 11.667 °C; (18)Enthalpy of Vaporization: 39.85 kJ/mol; (19)Boiling Point: 72.993 °C at 760 mmHg; (20)Vapour Pressure: 81.3320007324219 mmHg at 25°C

Preparation of Isopropanol: Isopropanol is produced by combining water and propene. This technology has two processes: direct hydration and indirect hydration via the sulfuric acid process.

1. Direct hydration: Use propylene as raw material, phosphoric acid diatomite as catalytic agent, then directly hydrate under the pressure to obtain isopropanol. Propylene and water are pressurized to 2.03 MPa, and preheat to 200 °C, respectively. After mixing, the mixture goes into the reactor to go through hydration reaction. The reactor is equipped with phosphoric acid diatomite catalyst with the reaction temperature of 95 °C and pressure of 2.03 MPa. The molar ratio of water and propylene is 0.7:1. The percent conversion of propylene is 5.2% and the selectivity is 99%. Then, after neutralization and heat transfer, the reaction gas is sent to high pressure chiller and high pressure separator. The isopropanol in gas phase is recoveried and unreacted gas is recycled by recyclingcompressor. The liquid phase is low concentration isopropanol (15% - 17%). After a series of treatment, the yield can achieve 99%. This method does not need sulfuric acid, so there is no corrosion problem. And the process is relatively simple.

2. Indirect hydration: Using propylene which contains more than 50% as raw material. At low pressure and temperature of 50 °C, use 75%-85% sulfuric acid to absorb in absorption tower. The absorption solution is diluted to 35%, which is hydrolysised to isopropanol in desorption tower by low-pressure steam. The percent conversion of propylene is above 90%. This method needs sulfuric acid, so the corrosion to equipment is large.

Uses of Isopropanol: Isopropanol is widely used as organic feedstock and solvent. As chemical feedstock, it can be used to produce acetone, hydrogen peroxide, methyl isobutyl ketone, diisobutyl ketone, isopropyl, isopropyl ether, isopropyl ether, isopropyl chloride, etc. In industry of fine chemicals, it is used to produce nitric acid, xanthalato isopropyl, medicine, pesticide, etc. As a solvent, isopropanol can be used to produce paints, inks, extraction agents, aerosol agents, etc. It is also used as antifreeze, detergent, dispersant of pigment production, fixative of printing and dyeing industry, anti-fog agent of glass and transparent plastic. What's more, isopropanol is used as reagent in the determination of barium, calcium, copper, magnesium, nickel, potassium, sodium, strontium, nitrite and cobalt. Isopropanol is often used for the cleaning of electrical parts, for hi-fi equipment and for computers and computer-related equipment such as computer monitor screens, laptops and keyboards.

When you are using this chemical, please be cautious about it as the following: Isopropanol is irritating to eyes and skin. And its vapours may cause drowsiness and dizziness. You should wear suitable protective clothing and gloves to avoid contact with skin and eyes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. When mixed with air or other oxidizers it can explode through deflagration.

You can still convert the following datas into molecular structure:
1. Smiles:C(C)(C)O
2. InChI:InChI=1/C3H8O/c1-3(2)4/h3-4H,1-2H3

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
cat	LDLo	intravenous	1963mg/kg (1963mg/kg)		"Handbook of Toxicology," 4 vols., Philadelphia, W.B. Saunders Co., 1956-59Vol. 1, Pg. 172, 1955.
cat	LDLo	oral	6mL/kg (6mL/kg)		Archives Internationales de Pharmacodynamie et de Therapie. Vol. 26, Pg. 285, 1921.
dog	LDLo	intravenous	1024mg/kg (1024mg/kg)		Journal of Laboratory and Clinical Medicine. Vol. 29, Pg. 561, 1944.
dog	LDLo	oral	1537mg/kg (1537mg/kg)	GASTROINTESTINAL: NAUSEA OR VOMITING	Journal of Laboratory and Clinical Medicine. Vol. 29, Pg. 561, 1944.
frog	LDLo	parenteral	20gm/kg (20000mg/kg)	PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)	Archives Internationales de Pharmacodynamie et de Therapie. Vol. 50, Pg. 296, 1935.
guinea pig	LD50	intraperitoneal	2560mg/kg (2560mg/kg)		EHP, Environmental Health Perspectives. Vol. 61, Pg. 321, 1985.
hamster	LD50	intraperitoneal	3444mg/kg (3444mg/kg)		EHP, Environmental Health Perspectives. Vol. 61, Pg. 321, 1985.
human	LDLo	oral	3570mg/kg (3570mg/kg)	BEHAVIORAL: COMA LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION GASTROINTESTINAL: NAUSEA OR VOMITING	"Toxicology of Drugs and Chemicals," Deichmann, W.B., New York, Academic Press, Inc., 1969Vol. -, Pg. 339, 1969.
human	LDLo	unreported	2mL/kg (2mL/kg)		Japanese Journal of Toxicology. Vol. 12, Pg. 341, 1999.
human	TDLo	oral	223mg/kg (223mg/kg)	BEHAVIORAL: "HALLUCINATIONS, DISTORTED PERCEPTIONS" CARDIAC: PULSE RATE VASCULAR: BP LOWERING NOT CHARACTERIZED IN AUTONOMIC SECTION	Journal of Laboratory and Clinical Medicine. Vol. 12, Pg. 326, 1927.
infant	TDLo	oral	13gm/kg (13000mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: IRRITABILITY GASTROINTESTINAL: NAUSEA OR VOMITING	American Journal of Emergency Medicine. Vol. 10, Pg. 542, 1992.
infant	TDLo	unreported	1375mg/kg (1375mg/kg)	SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE BEHAVIORAL: "HALLUCINATIONS, DISTORTED PERCEPTIONS" BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)	Pediatric Emergency Care. Vol. 9, Pg. 146, 1993.
mammal (species unspecified)	LDLo	subcutaneous	6gm/kg (6000mg/kg)	PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES BEHAVIORAL: GENERAL ANESTHETIC	Archiv fuer Toxikologie. Vol. 16, Pg. 84, 1956.
man	LDLo	oral	5272mg/kg (5272mg/kg)	BEHAVIORAL: COMA VASCULAR: BP LOWERING NOT CHARACTERIZED IN AUTONOMIC SECTION LUNGS, THORAX, OR RESPIRATION: CHRONIC PULMONARY EDEMA	American Journal of Clinical Pathology. Vol. 38, Pg. 144, 1962.
man	LDLo	unreported	2770mg/kg (2770mg/kg)		"Poisoning; Toxicology, Symptoms, Treatments," 2nd ed., Arena, J.M., Springfield, IL, C.C. Thomas, 1970Vol. 2, Pg. 73, 1970.
man	TDLo	oral	14432mg/kg (14432mg/kg)	BEHAVIORAL: COMA VASCULAR: BP LOWERING NOT CHARACTERIZED IN AUTONOMIC SECTION LUNGS, THORAX, OR RESPIRATION: DYSPNEA	New England Journal of Medicine. Vol. 277, Pg. 699, 1967.
mouse	LCLo	inhalation	12800ppm/3H (12800ppm)		Interagency Collaborative Group on Environmental Carcinogenesis, National Cancer Institute, Memorandum, June 17, 1974Vol. 17JUN1974,
mouse	LD50	intraperitoneal	4477mg/kg (4477mg/kg)		EHP, Environmental Health Perspectives. Vol. 61, Pg. 321, 1985.
mouse	LD50	intravenous	1509mg/kg (1509mg/kg)		EHP, Environmental Health Perspectives. Vol. 61, Pg. 321, 1985.
mouse	LD50	oral	3600mg/kg (3600mg/kg)	BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)	Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 43(1), Pg. 8, 1978.
mouse	LDLo	subcutaneous	6gm/kg (6000mg/kg)		"Handbook of Toxicology," 4 vols., Philadelphia, W.B. Saunders Co., 1956-59Vol. 1, Pg. 172, 1955.
rabbit	LD50	intraperitoneal	667mg/kg (667mg/kg)		EHP, Environmental Health Perspectives. Vol. 61, Pg. 321, 1985.
rabbit	LD50	intravenous	1184mg/kg (1184mg/kg)		EHP, Environmental Health Perspectives. Vol. 61, Pg. 321, 1985.
rabbit	LD50	oral	6410mg/kg (6410mg/kg)		FAO Nutrition Meetings Report Series. Vol. 48A, Pg. 114, 1970.
rabbit	LD50	skin	12800mg/kg (12800mg/kg)		Raw Material Data Handbook, Vol.1: Organic Solvents, 1974. Vol. 1, Pg. 100, 1974.
rat	LC50	inhalation	16000ppm/8H (16000ppm)		Raw Material Data Handbook, Vol.1: Organic Solvents, 1974. Vol. 1, Pg. 100, 1974.
rat	LD50	intraperitoneal	2735mg/kg (2735mg/kg)		EHP, Environmental Health Perspectives. Vol. 61, Pg. 321, 1985.
rat	LD50	intravenous	1088mg/kg (1088mg/kg)		EHP, Environmental Health Perspectives. Vol. 61, Pg. 321, 1985.
rat	LD50	oral	5045mg/kg (5045mg/kg)	BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)	Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 43(1), Pg. 8, 1978.