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3-Acetyl-1-propanol
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Name

3-Acetyl-1-propanol

 EINECS 213-994-8
CAS No. 1071-73-4 Density 1.007 g/mL at 25 °C(lit.)
PSA 37.30000 LogP 0.34790
Solubility N/A Melting Point 2.5°C (estimate)
Formula C5H10O2 Boiling Point 204 °C at 760 mmHg
Molecular Weight 102.133 Flash Point 93 °C
Transport Information N/A Appearance clear colorless liquid
Safety 37/39-26 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 1071-73-4 (3-Acetyl-1-propanol) Hazard Symbols IrritantXi
Synonyms

3-Acetopropanol;3-Acetyl-1-propanol;3-Acetylpropanol;4-Oxo-1-pentanol;5-Hydroxy-2-pentanone;NSC 19158;NSC 33940;g-Acetopropanol;g-Acetopropyl alcohol;2-Pentanone, 5-hydroxy-;

Article Data 119

3-Acetyl-1-propanol Synthetic route

5390-04-5

pent-1-yn-5-ol

1071-73-4

5-Hydroxy-2-pentanone

Conditions
ConditionsYield
With C20H44Cl4N8O4P4Pd2S2; water at 30℃; for 9h; Reagent/catalyst;100%
With cisplatin In water at 37℃; for 120h;67%
With water; mercury(II) sulfate
5185-97-7

4-oxopentyl acetate

1071-73-4

5-Hydroxy-2-pentanone

Conditions
ConditionsYield
With sodium methylate In methanol for 4.5h; Ambient temperature;96%
63305-45-3

4-oxopentyl formate

1071-73-4

5-Hydroxy-2-pentanone

Conditions
ConditionsYield
With sodium methylate In methanol for 1.5h;95%
626-95-9

1,4-Pentanediol

A

1071-73-4

5-Hydroxy-2-pentanone

B

5185-97-7

4-oxopentyl acetate

Conditions
ConditionsYield
With dihydrogen peroxide; methyltrioxorhenium(VII); sodium bromide In acetic acid for 10h; Ambient temperature;A 94%
B 6%
626-95-9

1,4-Pentanediol

64-19-7

acetic acid

A

1071-73-4

5-Hydroxy-2-pentanone

B

5185-97-7

4-oxopentyl acetate

Conditions
ConditionsYield
With dihydrogen peroxide; methyltrioxorhenium(VII); sodium bromide for 10h; Ambient temperature;A 94%
B 6%

3-(2-methyl-[1,3]oxathian-2-yl)-propan-1-ol

1071-73-4

5-Hydroxy-2-pentanone

Conditions
ConditionsYield
With bis-[(trifluoroacetoxy)iodo]benzene; sodium iodide In dichloromethane at 20℃; for 0.25h; Ring cleavage; De(monothio)acetalization;90%

5-(3-benzyloxypropyl)-1,2,3-oxadiazole 3-oxide

1071-73-4

5-Hydroxy-2-pentanone

Conditions
ConditionsYield
With palladium 10% on activated carbon; hydrogen In methanol at 20℃; under 760.051 Torr; for 2h;78%
517-23-7

3-acetyl-2-oxo-4,5-dihydrofuran

A

96-48-0

4-butanolide

B

1071-73-4

5-Hydroxy-2-pentanone

C

999-10-0

ethyl 4-hydroxybutanoate

D

25560-91-2

ethyl 4-(acetyloxy)butanoate

Conditions
ConditionsYield
With sodium hydroxide In ethanol; water at 200℃; for 2h;A 75%
B 5%
C 8%
D 12%
With sodium hydroxide In ethanol; water at 200℃; for 2h;A 75%
B 3%
C 8%
D 12%
With sodium hydroxide In ethanol; water at 200℃; for 2h; Product distribution; other reagent/educt ratio,;A 15%
B 16%
C 4%
D 62%
With sodium hydroxide In ethanol; water at 200℃; for 2h;A 15%
B 16%
C 4%
D 62%
98-01-1

furfural

1071-73-4

5-Hydroxy-2-pentanone

Conditions
ConditionsYield
With hydrogen In water at 80℃; under 1500.15 Torr; for 20.4167h; Pressure; Temperature; Reagent/catalyst; Autoclave;72%
With carbon dioxide; water; hydrogen at 60℃; under 30003 Torr; for 36h; Temperature; Autoclave;
With hydrogen In water at 80℃; under 7500.75 Torr; for 10h; Temperature; Reagent/catalyst; Pressure; Autoclave; Molecular sieve;
With hydrogen In water at 80℃; under 1500.15 Torr; for 20h;
626-95-9

1,4-Pentanediol

A

1071-73-4

5-Hydroxy-2-pentanone

B

1679-47-6

3-methyltetrahydro-2-furanone

Conditions
ConditionsYield
With aluminum oxide; potassium permanganate; copper(II) sulfate at 20℃; for 36h;A 30%
B 70%

3-Acetyl-1-propanol Chemical Properties

Molecule structure of 3-Acetyl-1-propanol (CAS NO.1071-73-4):

IUPAC: 5-Hydroxypentan-2-one  
Molecular Formula: C5H10O2
Molecular Weight: 102.13 g/mol
Density: 1.007 g/mL at 25 °C(lit.)
Boiling Point: 204 °C at 760 mmHg
Flash Point: 93.3 °C
Index of Refraction: 1.42
Molar Refractivity: 26.77 cm3
Molar Volume: 105.6 cm3
Surface Tension: 32.7 dyne/cm 
XLogP3-AA: -0.4
H-Bond Donor: 1
H-Bond Acceptor: 2
Rotatable Bond Count: 3
Tautomer Count: 3
Exact Mass: 102.06808
MonoIsotopic Mass: 102.06808
Topological Polar Surface Area: 37.3
Heavy Atom Count: 7 
Canonical SMILES: CC(=O)CCCO
InChI: InChI=1S/C5H10O2/c1-5(7)3-2-4-6/h6H,2-4H2,1H3
InChIKey: JSHPTIGHEWEXRW-UHFFFAOYSA-N
EINECS: 213-994-8
Product Categories: straight chain compounds

3-Acetyl-1-propanol Uses

 3-Acetyl-1-propanol (CAS NO.1071-73-4) is used as an important pharmaceutical intermediate for the production of chloroquine phosphate, which is an antimalarial. It can also be used in the production of vitamin B1.

3-Acetyl-1-propanol Toxicity Data With Reference

1.    

orl-rat LD50:6400 mg/k

     TNICS*    Toxicology of New Industrial Chemical Substances. 13 (1973),118.
2.    

ihl-rat LC:>2 g/m3/4H

     TNICS*    Toxicology of New Industrial Chemical Substances. 13 (1973),118.
3.    

orl-mus LD50:1960 mg/kg

     GISAAA    Gigiena i Sanitariya. 43 (8)(1978),103.
4.    

ihl-mus LC:>2 g/m3/4H

     TNICS*    Toxicology of New Industrial Chemical Substances. 13 (1973),118.
5.    

orl-rbt LDLo:3500 mg/kg

     GISAAA    Gigiena i Sanitariya. 43 (8)(1978),103.
6.    

orl-gpg LD50:2260 mg/kg

     GISAAA    Gigiena i Sanitariya. 43 (8)(1978),103.

3-Acetyl-1-propanol Safety Profile

Hazard Codes: IrritantXi
Risk Statements: 36/37/38 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 37/39-26 
S37/39:Wear suitable gloves and eye/face protection. 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
WGK Germany: 2
RTECS: UA4600000
Moderately toxic by ingestion and inhalation. When heated to decomposition it emits acrid smoke.

3-Acetyl-1-propanol Specification

 3-Acetyl-1-propanol (CAS NO.1071-73-4) is also named as 3-Acetopropanol ; 3-Acetyl-1-propanol ; 3-Acetylpropanol ; 4-01-00-04006 (Beilstein Handbook Reference) ; 5-Hydroxy-2-pentanone ; AI3-08030 ; BRN 1740387 ; NSC 19158 ; NSC 33940 ; Propanol, 3-acetyl- ; gamma-Acetopropanol ; gamma-Acetylpropyl alcohol . 3-Acetyl-1-propanol (CAS NO.1071-73-4) is clear colorless liquid. It is miscible with water, soluble in alcohol and ether. 3-Acetyl-1-propanol should be kept away from heat, sparks, and flame and sources of ignition. Then it should be stored in a tightly closed container and stored in a cool, dry, well-ventilated area away from incompatible substances.

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