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71-23-8

Basic Information
CAS No.: 71-23-8
Name: 1-Propanol
Article Data: 946
Cas Database
Molecular Structure:
Molecular Structure of 71-23-8 (1-Propanol)
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: FlammableF, IrritantXi
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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%
79-33-4

L-Lactic acid

71-23-8

propan-1-ol

Conditions
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
at 150℃; for 1.5h;A n/a
B n/a
C 91.7%
57-55-6

propylene glycol

A

71-23-8

propan-1-ol

B

67-63-0

isopropyl alcohol

Conditions
ConditionsYield
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;
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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.