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1-Butoxy-2-propanol

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Name

1-Butoxy-2-propanol

EINECS 225-878-4
CAS No. 5131-66-8 Density 0.891 g/cm3
PSA 29.46000 LogP 1.18390
Solubility Soluble in water: 6 g/100 ml Melting Point < -75 °C
Formula C7H16O2 Boiling Point 171.5 °C at 760 mmHg
Molecular Weight 132.203 Flash Point 54.5 °C
Transport Information N/A Appearance CLEAR COLOURLESS LIQUID
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 5131-66-8 (1-Butoxy-2-propanol) Hazard Symbols IrritantXi
Synonyms

1,2-Propyleneglycol 1-monobutyl ether;1-Butoxy-2-propanol;1-Methyl-3-oxa-1-heptanol;2-Hydroxy-3-butoxypropane;NSC 2211;

Article Data 24

1-Butoxy-2-propanol Synthetic route

75-56-9, 16033-71-9

methyloxirane

71-36-3

butan-1-ol

5131-66-8

1-butoxy-2-propanol

Conditions
ConditionsYield
With Al2O3/MgO composite at 120℃; Inert atmosphere;38.5%
With sodium hydroxide
With hematite at 160℃; for 8h; Autoclave;
With 1-ethyl-3-methyl-1H-imidazol-3-ium methylcarbonate at 50℃; for 0.166667h; Reagent/catalyst; Microwave irradiation; Green chemistry;
75-56-9, 16033-71-9

methyloxirane

71-36-3

butan-1-ol

A

15821-83-7

(R)-2-butoxy-1propanol

B

5131-66-8

1-butoxy-2-propanol

Conditions
ConditionsYield
With sulfuric acid bei Siedetemperatur;
With H+-Zeolite X at 35℃; for 24h; Yield given. Yields of byproduct given;
With aluminum oxide Yield given. Yields of byproduct given;
57-55-6

propylene glycol

109-69-3

n-Butyl chloride

A

15821-83-7

(R)-2-butoxy-1propanol

B

5131-66-8

1-butoxy-2-propanol

C

91337-27-8

1,2-dibutoxy-propane

Conditions
ConditionsYield
(i) DMSO, NaOH, (ii) /BRN= 1730909/; Multistep reaction;
2372-45-4

sodium butanolate

75-56-9, 16033-71-9

methyloxirane

5131-66-8

1-butoxy-2-propanol

Conditions
ConditionsYield
In butan-1-ol
109-65-9

1-bromo-butane

57-55-6

propylene glycol

A

15821-83-7

(R)-2-butoxy-1propanol

B

5131-66-8

1-butoxy-2-propanol

Conditions
ConditionsYield
With tetra(n-butyl)ammonium hydrogensulfate In sodium hydroxide at 80 - 90℃; for 3h; Title compound not separated from byproducts;
57-55-6

propylene glycol

123-72-8

butyraldehyde

A

4352-99-2

cis/trans 2-propyl-4-methyl-1,3-dioxolane

B

15821-83-7

(R)-2-butoxy-1propanol

C

5131-66-8

1-butoxy-2-propanol

D

71-36-3

butan-1-ol

Conditions
ConditionsYield
With hydrogen; palladium 10% on activated carbon at 180℃; under 51716.2 Torr; for 3h; Inert atmosphere;A 11.9 %Chromat.
B n/a
C n/a
D 5.8 %Chromat.
With palladium 10% on activated carbon; hydrogen at 180℃; under 51755.2 Torr; for 3h;A n/a
B n/a
C n/a
D 5.8 %Chromat.
4352-99-2

cis/trans 2-propyl-4-methyl-1,3-dioxolane

A

15821-83-7

(R)-2-butoxy-1propanol

B

5131-66-8

1-butoxy-2-propanol

Conditions
ConditionsYield
With hydrogen; 5%-palladium/activated carbon In propylene glycol at 150℃; under 51680.2 Torr; for 1h; Product distribution / selectivity; Autoclave;
57-55-6

propylene glycol

71-36-3

butan-1-ol

A

15821-83-7

(R)-2-butoxy-1propanol

B

5131-66-8

1-butoxy-2-propanol

Conditions
ConditionsYield
With bismuth(lll) trifluoromethanesulfonate at 150℃; for 24h; Overall yield = 46 %Chromat.;
5131-66-8

1-butoxy-2-propanol

84223-13-2

1-(butoxy)-2-propanone

Conditions
ConditionsYield
With oxygen; LnPd(II) at 100℃; for 10h;100%
With 2-chloro-1,3-dimethylimidazolinium chloride; dimethyl sulfoxide; triethylamine In dichloromethane at 20℃; for 47h; Oxidation;80%
With pyridinium chlorochromate; dichloro-acetic acid In nitrobenzene; chlorobenzene at 35℃; Rate constant; Mechanism; different reagent, substrate and catalyst concentrations, catalyst and solvent ratios;
With 2,2,6,6-tetramethyl-piperidine-N-oxyl; trichloroisocyanuric acid In dichloromethane at 0 - 20℃; for 4h;
5131-66-8

1-butoxy-2-propanol

75-05-8

acetonitrile

85409-76-3

propylene glycol n-butyl ether acetate

Conditions
ConditionsYield
With Bromotrichloromethane; [4,4′-bis(1,1-dimethylethyl)-2,2′-bipyridine-N1,N1′]bis{3,5-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl-κN]phenyl-κC}iridium(III) hexafluorophosphate at 20℃; for 15h; Irradiation; Inert atmosphere;67%

1-Butoxy-2-propanol Consensus Reports

Reported in EPA TSCA Inventory. Glycol ethers are on the Community Right-To-Know List.

1-Butoxy-2-propanol Specification

The 1-Butoxy-2-propanol, with the CAS registry number 5131-66-8, is also known as 2-Propanol, 1-butoxy-. Its EINECS registry number is 225-878-4. This chemical's molecular formula is C7H16O2 and molecular weight is 132.2. Its IUPAC name is called 1-butoxypropan-2-ol. The product should be sealed and stored in cool and dry place.

Physical properties of 1-Butoxy-2-propanol: (1)ACD/LogP: 1.14; (2)ACD/LogD (pH 5.5): 1.14; (3)ACD/LogD (pH 7.4): 1.14; (4)ACD/BCF (pH 5.5): 4.36; (5)ACD/BCF (pH 7.4): 4.36; (6)ACD/KOC (pH 5.5): 99.86; (7)ACD/KOC (pH 7.4): 99.86; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 6; (11)Index of Refraction: 1.422; (12)Molar Refractivity: 37.71 cm3; (13)Molar Volume: 148.3 cm3; (14)Surface Tension: 29 dyne/cm; (15)Density: 0.891 g/cm3; (16)Flash Point: 54.5 °C; (17)Enthalpy of Vaporization: 47.49 kJ/mol; (18)Boiling Point: 171.5 °C at 760 mmHg; (19)Vapour Pressure: 0.444 mmHg at 25°C.

Uses of 1-Butoxy-2-propanol: it can be used to produce 1-butoxy-propan-2-one at temperature of 100 °C. This reaction will need reagent O2 with reaction time of 10 hours. The yield is about 100%.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCOCC(C)O
(2)InChI: InChI=1S/C7H16O2/c1-3-4-5-9-6-7(2)8/h7-8H,3-6H2,1-2H3
(3)InChIKey: RWNUSVWFHDHRCJ-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin 3100mg/kg (3100mg/kg)   Raw Material Data Handbook, Vol.1: Organic Solvents, 1974. Vol. 1, Pg. 102, 1974.
rat LD50 oral 5660uL/kg (5.66mL/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS

SKIN AND APPENDAGES (SKIN): HAIR: OTHER
National Technical Information Service. Vol. OTS0516797,

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