CAS No.71-23-8,1-Propanol Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	71-23-8
Name:	1-Propanol
Article Data:	946
Cas Database

Formula:	C₃H₈O
Molecular Weight:	60.0959
Synonyms:	Propylalcohol (8CI);1-Hydroxypropane;Ethylcarbinol;NSC 30300;Optal;Osmosolextra;Propanol;n-Propanol;n-Propyl alcohol;
EINECS:	200-746-9
Density:	0.795 g/cm³
Melting Point:	-127 °C
Boiling Point:	95.784 °C at 760 mmHg
Flash Point:	15 °C
Solubility:	soluble in water
Appearance:	colourless liquid
Hazard Symbols:	F, Xi
Risk Codes:	11-41-67
Safety:	7-16-24-26-39
Transport Information:	UN 1274 3/PG 2
PSA:	20.23000
LogP:	0.38870

Synthetic route

: 123-38-6
propionaldehyde

: 71-23-8
propan-1-ol

Conditions

Conditions	Yield
With hydrogen; mer-Os(PPh3)3HBr(CO) at 150℃; under 22800 Torr; for 1.66667h; Product distribution;	100%
With hydrogen; mer-Os(PPh3)3HBr(CO) In toluene at 150℃; under 22800 Torr; for 1.7h;	100%
With hydrogen In water at 60℃; under 15001.5 Torr; for 8h; Reagent/catalyst; Autoclave;	100%

: 107-18-6
allyl alcohol

: 71-23-8
propan-1-ol

Conditions

Conditions	Yield
With hydrogen; poly-1,2,3-triazolyl ferrocenyl dendrimer-Pd nanoparticle In methanol; chloroform at 25℃; under 760.051 Torr;	100%
With (1+)*OTf(1-); Gantrez 149; bis[(2-diphenylphosphino)ethyl]amine hydrochloride; hydrogen at 25℃; Mechanism; Product distribution; 1.) CH3CN, 10 h; 2.) H2O; var. Rh(I) complex cat., solvent;	95%
With <(Pd5Phen2)OAc>n; hydrogen In water at 30℃; Product distribution; hydogen and substrate concentration dependence;	90%

: 1333-74-0
hydrogen

: 107-18-6
allyl alcohol

: 71-23-8
propan-1-ol

Conditions

Conditions	Yield
With C61H62ClN3P2Ru In dichloromethane-d2 at 50℃; under 3040.2 Torr; for 10h; Reagent/catalyst; Time;	100%

: 624-48-6
dimethyl cis-but-2-ene-1,4-dioate

A: 109-99-9
tetrahydrofuran

B: 13436-45-8
2-methoxytetrahydrofuran

C: 96-48-0
4-butanolide

D: 71-23-8
propan-1-ol

E: 64001-06-5
2-(4'-hydroxybutoxy)-tetrahydrofuran

F: 110-63-4
Butane-1,4-diol

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

Conditions

Conditions	Yield
With hydrogen; copper catalyst, T 4489, Sud-Chemie AG, Munich at 150 - 280℃; under 187519 Torr; Neat liquid(s) and gas(es)/vapour(s);	A 1% B n/a C 0.4% D n/a E n/a F 98% G 0.5%

...Expand

: 79-33-4
L-Lactic acid

: 71-23-8
propan-1-ol

Conditions

Conditions	Yield
With hydrogen In water at 119.84℃; under 60006 Torr; for 2h; Catalytic behavior; Reagent/catalyst; Autoclave; Sealed tube;	97%

: 802294-64-0
propionic acid

: 71-23-8
propan-1-ol

Conditions

Conditions	Yield
Stage #1: propionic acid With borane-2-methyltetrahydrofuran complex In 2-methyltetrahydrofuran at 0 - 20℃; for 2h; Stage #2: With water In 2-methyltetrahydrofuran Product distribution / selectivity;	96.5%
With hydrogen In water at 119.84℃; under 7500.75 - 60006 Torr; for 2h; Catalytic behavior; Reagent/catalyst; Autoclave; Sealed tube;	96%
With hydrogen In water at 100℃; under 37503.8 Torr; for 12h; Pressure; Reagent/catalyst; Autoclave;	94%

: 57-55-6
propylene glycol

: 71-23-8
propan-1-ol

Conditions

Conditions	Yield
With [C6H3-2,6-(OP(tBu)2)2]IrH2; trifluorormethanesulfonic acid; water; hydrogen In 1,4-dioxane at 125℃; under 5171.62 Torr; Temperature; Pressure; Solvent; Autoclave;	95%
With hydrogen In water at 210℃; under 30753.1 Torr; for 5h; Autoclave; Sealed tube;
With hydrogen In water at 179.84℃; under 37503.8 Torr; for 12h;	80 %Chromat.
at 315℃; Gas phase;

: 1-chloropropenol

: 71-23-8
propan-1-ol

Conditions

Conditions	Yield
With N-ethyl-N-hydroxy-ethanamine; sodium hydroxide In tert-butyl alcohol for 2h;	93%

: 53720-59-5
dipropyl phenylarsonate

: 100-39-0
benzyl bromide

A: 71-23-8
propan-1-ol

B: 106-94-5
propyl bromide

C: 75099-95-5
C16H19AsO3

Conditions

Conditions	Yield
at 150℃; for 1.5h;	A n/a B n/a C 91.7%

...Expand

: 57-55-6
propylene glycol

A: 71-23-8
propan-1-ol

B: 67-63-0
isopropyl alcohol

Conditions

Conditions	Yield
With hydrogen at 180℃; under 37503.8 Torr; Catalytic behavior; chemoselective reaction;	A 91.2% B 7.8%
With hydrogen In water at 179.84℃; under 22502.3 Torr; for 10h; Autoclave;	A 76% B 9%
With hydrogen In water at 130℃; under 30003 Torr; for 24h;

Raw Materials

2295-12-7

116-09-6

110-74-7

32837-87-9

462-43-1

107-18-6

57-55-6

123-62-6

Downstream Products

503-66-2

10230-26-9

90-00-6

504-60-9

1956-45-2

106693-74-7

507-70-0

557-17-5

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Specification

The 1-Propanol, with the CAS registry number 71-23-8,is also known as Propan-1-ol; Propyl alcohol. It belongs to the product categories of Carbon Steel Flex-Spout Cans;Semi-Bulk Solvents.Its EINECS number is 200-746-9. This chemical's molecular formula is C₃H₈O and molecular weight is 60.10. What's more,Its systematic name is 1-Propanol.It is a colorless liquid made by oxidation of aliphatic hydrocarbons that is used as a solvent and chemical intermediate.It may form peroxides in contact with air.And it is incompatible with alkali metals, alkaline earths, aluminium, oxidizing agents, nitro compounds,highly flammable.And it is used as a solvent in the pharmaceutical industry, and for resins and cellulose esters.

Physical properties about 1-Propanol are:
(1)ACD/LogP: 0.329; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.33; (4)ACD/LogD (pH 7.4): 0.33; (5)ACD/BCF (pH 5.5): 1.05; (6)ACD/BCF (pH 7.4): 1.05; (7)ACD/KOC (pH 5.5): 35.97; (8)ACD/KOC (pH 7.4): 35.97; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.38; (13)Molar Refractivity: 17.482 cm³; (14)Molar Volume: 75.562 cm³; (15)Surface Tension: 24.576000213623 dyne/cm; (16)Density: 0.795 g/cm³; (17)Flash Point: 15 °C; (18)Enthalpy of Vaporization: 41.44 kJ/mol; (19)Boiling Point: 95.784 °C at 760 mmHg; (20)Vapour Pressure: 26.3169994354248 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES:CCCO;
(2)Std. InChI:InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3;
(3)Std. InChIKey:BDERNNFJNOPAEC-UHFFFAOYSA-N.

Preparation of 1-Propanol:
It is a major constituent of fusel oil, a by-product formed from certain amino acids when potatoes or grains are fermented to produce ethanol.
It is manufactured by catalytic hydrogenation of propionaldehyde. The propionaldehyde is itself produced via the oxo process, by hydroformylation of ethylene using carbon monoxide and hydrogen in the presence of a catalyst such as cobalt octacarbonyl or a rhodium complex.
H₂C=CH₂ + CO + H₂ → CH₃CH₂CH=O
CH₃CH₂CH=O + H₂ → CH₃CH₂CH₂OH
A traditional laboratory preparation of 1-propanol involves treating n-propyl iodide with moist Ag₂O.

Safety Information of 1-Propanol:
The 1-Propanol is extremely irritating when contact with eyes and may cause burns.The vapors irritate nose and throat. In high concentrations, it may cause nausea, dizziness, headache, and stupor.So we should keep container tightly closed and away from heat. When you use it ,wear eye/face protection and avoid contact with skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

The toxicity data of 1-Propanol as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
cat	LDLo	intravenous	4008mg/kg (4008mg/kg)		Journal of Pharmacology and Experimental Therapeutics. Vol. 16, Pg. 1, 1920.
dog	LDLo	oral	3gm/kg (3000mg/kg)	BLOOD: HEMORRHAGE GASTROINTESTINAL: OTHER CHANGES	Comptes Rendus Hebdomadaires des Seances, Academie des Sciences. Vol. 81, Pg. 192, 1875.
dog	LDLo	subcutaneous	4gm/kg (4000mg/kg)	BLOOD: HEMORRHAGE GASTROINTESTINAL: OTHER CHANGES	Comptes Rendus Hebdomadaires des Seances, Academie des Sciences. Vol. 81, Pg. 192, 1875.
guinea pig	LD50	intraperitoneal	1208mg/kg (1208mg/kg)		EHP, Environmental Health Perspectives. Vol. 61, Pg. 321, 1985.
hamster	LD50	intraperitoneal	2338mg/kg (2338mg/kg)		EHP, Environmental Health Perspectives. Vol. 61, Pg. 321, 1985.
mammal (species unspecified)	LDLo	subcutaneous	5gm/kg (5000mg/kg)	LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE BEHAVIORAL: GENERAL ANESTHETIC	Archiv fuer Toxikologie. Vol. 16, Pg. 84, 1956.
mouse	LC50	inhalation	48gm/m3 (48000mg/m3)		Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 18(3), Pg. 48, 1974.
mouse	LD50	intraperitoneal	3125mg/kg (3125mg/kg)		EHP, Environmental Health Perspectives. Vol. 61, Pg. 321, 1985.
mouse	LD50	intravenous	697mg/kg (697mg/kg)		EHP, Environmental Health Perspectives. Vol. 61, Pg. 321, 1985.
mouse	LD50	oral	6800mg/kg (6800mg/kg)		Proceedings of the European Society for the Study of Drug Toxicity. Vol. 9, Pg. 276, 1968.
mouse	LD50	subcutaneous	4700mg/kg (4700mg/kg)		Toxicology and Applied Pharmacology. Vol. 18, Pg. 185, 1971.
rabbit	LD50	intraperitoneal	515mg/kg (515mg/kg)		EHP, Environmental Health Perspectives. Vol. 61, Pg. 321, 1985.
rabbit	LD50	intravenous	483mg/kg (483mg/kg)		EHP, Environmental Health Perspectives. Vol. 61, Pg. 321, 1985.
rabbit	LD50	oral	2825mg/kg (2825mg/kg)		Industrial Medicine and Surgery. Vol. 41, Pg. 31, 1972.
rabbit	LD50	skin	5040mg/kg (5040mg/kg)		AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954.
rabbit	LDLo	subcutaneous	3gm/kg (3000mg/kg)		"Zur Pharmakologie Ungesattigter Alkohole, Dissertation," Bock, H., Pharmakologischen Institu der Universitat Breslau, Poland, 1930Vol. -, Pg. -, 1930.
rabbit	LDLo	unreported	4500mg/kg (4500mg/kg)		Therapeutische Monatshefte. Vol. 6, Pg. 327, 1892.
rat	LCLo	inhalation	4000ppm/4H (4000ppm)		AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954.
rat	LD50	intraperitoneal	2164mg/kg (2164mg/kg)		EHP, Environmental Health Perspectives. Vol. 61, Pg. 321, 1985.
rat	LD50	intravenous	590mg/kg (590mg/kg)		EHP, Environmental Health Perspectives. Vol. 61, Pg. 321, 1985.
rat	LD50	oral	1870mg/kg (1870mg/kg)		AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954.
women	LDLo	oral	5700mg/kg (5700mg/kg)	LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES CARDIAC: OTHER CHANGES	Archiv fuer Toxikologie. Vol. 16, Pg. 84, 1956.