1-Butoxy-2-propanol
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1-Butoxy-2-propanol
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CAS No:
5131-66-8
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Formula:
C7H16O2
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Chemical Name:
1-Butoxy-2-propanol
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Synonyms:
2-Propanol,1-butoxy-;1-Butoxy-2-propanol;1-Methyl-3-oxa-1-heptanol;1,2-Propylene glycol 1-monobutyl ether;2-Hydroxy-3-butoxypropane;NSC 2211;Solvenon PnB;3-Butoxy-2-propanol;1-(n-Butoxy)propan-2-ol
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CAS No:
Description
1-Butoxy-2-Propanol is a clear, colorless liquid that gives off a distinctive odor. It has a molecular weight of 132.20100 and an exact mass of 132.20. It is registered with the European Chemicals Agency as 225-878-4, the International Labour Organization as 1614, and the National Science Foundation as 2211. In addition, it has a DSSTox ID: DTXSID8027589, customs code 29094. It has a polar surface area (PSA) of 29.46000 and an XLogP3 value of 1.1839. In appearance, it is a clear, colorless liquid with a density of 0.880 g/cm3 and a measured temperature of 20°C. It has a melting point below -75°C, a boiling point of 171.5°C, and a flash point of 54.5°C. Its refractive index is n20/D 1.416(lit.), and its solubility in water is 6 g/100ml, which is a medium solubility. Storage conditions It is recommended to store it in a cool, ventilated and dry place and avoid long-term storage to prevent the formation of peroxide. It has a vapor pressure of 0.187kPa at 25°C and a vapor density of 4.55 (relative vapor density, air =1). The explosion limits in air are 1.1% (80°C) and 8.4% (145°C). The hydroxyl reaction rate constant is 3.76e-11 cm3/molecule*sec, and the spontaneous combustion temperature is 260°C.
Characteristics
29.46000
1.1839
Transparent colorless liquid
0.880 g/cm3 @ Temp: 20 °C
<-75ºC
171.5 °C
54.5ºC
n20/D 1.416(lit.)
Solubility in water, g/100ml: 6 (moderate)
Storage Room low temperature ventilation drying ,Not easy to long storage, in order to prevent the formation of peroxide
Vapour pressure, kPa at 25°C: 0.187
Relative vapour density (air = 1): 4.55
vol% in air: 1.1 (at 80°C) 8.4 (at 145°C)
3.76e-11 cm3/molecule*sec
260 °C
Safety Information
III
3.2
UN 1987
1
R36/37/38
S26; S36/37/39
UA7700000
Xi
Keep in the dark. Separated from strong oxidants.
P305 + P351 + P338
H315-H319
Combustible. Gives off irritating or toxic fumes (or gases) in a fire. Above 63 °C explosive vapour/air mixtures may be formed.
|Warning|H315: Causes skin irritation [Warning Skin corrosion/irritation]|P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362|H315 (97.78%): Causes skin irritation [Warning Skin corrosion/irritation]|Aggregated GHS information provided by 3697 companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H227: Combustible liquid [Warning Flammable liquids]|P210, P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501
Use water spray, foam, powder, carbon dioxide.
Explosive limits , vol% in air: 1.1 (at 80 °C) - 8.4 (at 145 °C)
Collect leaking and spilled liquid in sealable containers as far as possible. Absorb remaining liquid in sand or inert absorbent. Then store and dispose of according to local regulations. Then wash away with plenty of water.
Keep in the dark. Separated from strong oxidants.
No indication can be given about the rate at which a harmful concentration of this substance in the air is reached on evaporation at 20 °C.
The substance is irritating to the eyes and skin.
NO open flames. Above 63 °C use a closed system, ventilation and explosion-proof electrical equipment.
Use ventilation.
Protective gloves.
Wear safety goggles.
Drug Information
Fresh air, rest.
Rinse skin with plenty of water or shower.
First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.
1-tert-butoxypropan-2-ol
The substance can be absorbed into the body through the skin and by ingestion.
Redness. Pain.
Redness. Pain.
1-Butoxy-2-propanol Use and Manufacturing
Paint additives and coating additives not described by other categories
Cleaning and furnishing care products
10,000,000 - 50,000,000 lb
All other basic organic chemical manufacturing|2-Propanol, 1-butoxy-: ACTIVE
EPA Safer Chemical Functional Use Classes -> Solvents|Safer Chemical Classes -> Green circle - The chemical has been verified to be of low concern|Cosmetics -> Humectant
Computed Properties
Molecular Weight:132.20
XLogP3:1.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:132.115029749
Monoisotopic Mass:132.115029749
Topological Polar Surface Area:29.5
Heavy Atom Count:9
Complexity:54.9
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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