1-Butoxy-2-propanol supplier

Name
1-Butoxy-2-propanol
EINECS 225-878-4
CAS No. 5131-66-8
Article Data24
CAS DataBase
Density 0.891 g/cm³
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
Appearance CLEAR COLOURLESS LIQUID
Safety 26-36/37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms 1,2-Propyleneglycol 1-monobutyl ether;1-Butoxy-2-propanol;1-Methyl-3-oxa-1-heptanol;2-Hydroxy-3-butoxypropane;NSC 2211;
PSA 29.46000
LogP 1.18390

Synthetic route

: 75-56-9, 16033-71-9
methyloxirane

: 71-36-3
butan-1-ol

: 5131-66-8
1-butoxy-2-propanol

Conditions

Conditions	Yield
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

Conditions	Yield
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;

...Expand

: 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

Conditions	Yield
(i) DMSO, NaOH, (ii) /BRN= 1730909/; Multistep reaction;

...Expand

: 2372-45-4
sodium butanolate

: 75-56-9, 16033-71-9
methyloxirane

: 5131-66-8
1-butoxy-2-propanol

Conditions

Conditions	Yield
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

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

...Expand

: 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

Conditions	Yield
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.

...Expand

: 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

Conditions	Yield
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

Conditions	Yield
With bismuth(lll) trifluoromethanesulfonate at 150℃; for 24h; Overall yield = 46 %Chromat.;

...Expand

: 5131-66-8
1-butoxy-2-propanol

: 84223-13-2
1-(butoxy)-2-propanone

Conditions

Conditions	Yield
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

Conditions	Yield
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%

: 5131-66-8
1-butoxy-2-propanol

: 73183-34-3
bis(pinacol)diborane

: butoxy-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propan-2-ol

Conditions

Conditions	Yield
With tris(triphenylphosphine)ruthenium(II) chloride; 1,3-bis(dicyclohexylphosphino)propane bis(tetrafluoroborate) salt; pivalaldehyde; iron(II) bromide; sodium t-butanolate In toluene at 100℃; for 6h; Glovebox; Schlenk technique; Inert atmosphere; Sealed tube;	30%

: 5131-66-8
1-butoxy-2-propanol

: 331861-94-0
1,7-dibromo-N,N'-bis(2,6-diisopropylphenyl)perylene-3,4:9,10-tetracarboxylic acid diimide

: N,N′-bis(2,6-diisopropylphenyl)-1-bromo-7-(1-butoxy-2-propanyloxy)perylene-3,4,9,10-tetracarboxylic diimide

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 80℃; for 3h; Inert atmosphere;	16%

: 5131-66-8
1-butoxy-2-propanol

: 133744-94-2
butyl 2-fluoropropyl ether

Conditions

Conditions	Yield
With diethylamino-sulfur trifluoride	9%

: 5131-66-8
1-butoxy-2-propanol

A: 50-00-0
formaldehyd

B: 592-84-7
n-butyl formate

C: 75-07-0
acetaldehyde

D: 123-38-6
propionaldehyde

Conditions

Conditions	Yield
With air; hydroxide at 22.85℃; under 740 Torr; Kinetics; Irradiation;

...Expand

: 5131-66-8
1-butoxy-2-propanol

: 616-38-6
carbonic acid dimethyl ester

: bis(1-butoxypropan-2-yl) carbonate

Conditions

Conditions	Yield
With sodium methylate In hexane; water at 53℃; Dean-Stark;

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,

Product Name

1-Butoxy-2-propanol

Synthetic route

1-Butoxy-2-propanol Consensus Reports

1-Butoxy-2-propanol Specification

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