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590-01-2

590-01-2 Structure

590-01-2 Structure
IdentificationMore
[Name]

Butyl propionate
[CAS]

590-01-2
[Synonyms]

BUTYL PROPIONATE
FEMA 2211
N-BUTYL PROPIONATE
PROPIONIC ACID BUTYL ESTER
PROPIONIC ACID N-BUTYL ESTER
1-butylpropanoate
Butyl ester of propanoic acid
Butyl propanoate
butylpropanoate
Butylpropionat
butylpropionates
n-Butyl n-propionate
n-Butyl propanoate
n-Butylpropionat
n-Butylpropionsate
Propanoicacid,butylester
Propanoicacidbutylester
BUTYL PROPIONATE 98+%
Propansyre butylester(=butylpropionat)
n-Butyl propionate, 99+%
[EINECS(EC#)]

209-669-5
[Molecular Formula]

C7H14O2
[MDL Number]

MFCD00009448
[Molecular Weight]

130.18
[MOL File]

590-01-2.mol
Chemical PropertiesBack Directory
[Appearance]

Butyl propionate is a flammable, colorless to straw-yellow liquid with an apple-like odor.
[Melting point ]

-75 °C
[Boiling point ]

145 °C/756 mmHg (lit.)
[density ]

0.875 g/mL at 25 °C(lit.)
[vapor density ]

4.5 (vs air)
[vapor pressure ]

4.6hPa at 20℃
[FEMA ]

2211
[refractive index ]

n20/D 1.401(lit.)
[Fp ]

101 °F
[storage temp. ]

Flammables area
[solubility ]

1.5g/l
[form ]

Liquid
[color ]

Clear colorless
[Odor]

at 100.00 %. earthy sweet weak rose
[biological source]

synthetic
[Odor Threshold]

0.036ppm
[Odor Type]

fruity
[Water Solubility ]

0.2 g/100 mL (20 ºC)
[Thermal Conductivity]

0.139 W/(m·K) at 25 ℃
[JECFA Number]

143
[Merck ]

14,1587
[Henry's Law Constant]

2.2×10-2 mol/(m3Pa) at 25℃, Brockbank (2013)
[Cosmetics Ingredients Functions]

PERFUMING
[InChI]

1S/C7H14O2/c1-3-5-6-9-7(8)4-2/h3-6H2,1-2H3
[InChIKey]

BTMVHUNTONAYDX-UHFFFAOYSA-N
[SMILES]

CCCCOC(=O)CC
[LogP]

2.67 at 20℃
[Uses]

Solvent for nitrocellulose, retarder in lacquer thinner, ingredient of perfumes, flavors.
[CAS DataBase Reference]

590-01-2(CAS DataBase Reference)
[NIST Chemistry Reference]

Propanoic acid, butyl ester(590-01-2)
[EPA Substance Registry System]

Butyl propionate (590-01-2)
Safety DataBack Directory
[Symbol(GHS) ]

Flame (GHS02)
GHS02
[Signal word ]

Warning
[Hazard statements ]

H226
[Precautionary statements ]

P210-P233-P240-P241-P242-P243
[Hazard Codes ]

Xi
[Risk Statements ]

R10:Flammable.
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S16:Keep away from sources of ignition-No smoking .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
[RIDADR ]

UN 1914 3/PG 3
[WGK Germany ]

1
[RTECS ]

UE8245000
[Autoignition Temperature]

799 °F
[TSCA ]

Yes
[REACH Registrations]

Active
[HazardClass ]

3
[PackingGroup ]

III
[HS Code ]

29155090
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

Flam. Liq. 3
[Safety Profile]

Mildly toxic by ingestion. A skin irritant. Dangerously flammable when exposed to heat or flame. To fight fire, use foam, CO2, dry chemical. Incompatible with oxidizing materials. See also ESTERS, n-BUTYL ALCOHOL, and PROPIONIC ACID.
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Potassium carbonate-->p-Toluenesulfonic acid-->1-Butanol-->3-Phenylpropionic acid butyl ester-->Propanoic acid, 2-methyl-3-oxo-, butyl ester-->2-Propenoic acid, 3-phenyl-, butyl ester, (2E)--->Butyl lactate-->ammonium propionate-->VINYL PROPIONATE-->Propionic anhydride
[Preparation Products]

Fluazifop-butyl-->FURALAXYL
Hazard InformationBack Directory
[General Description]

A water-white liquid with an apple-like odor. Less dense than water. Flash point 90°F. May irritate skin and eyes. Used to make perfumes and flavorings.
[Reactivity Profile]

BUTYL PROPIONATE is an ester. Esters react with acids to liberate heat along with alcohols and acids. Strong oxidizing acids may cause a vigorous reaction that is sufficiently exothermic to ignite the reaction products. Heat is also generated by the interaction of esters with caustic solutions. Flammable hydrogen is generated by mixing esters with alkali metals and hydrides.
[Air & Water Reactions]

Highly flammable. Very slightly soluble in water.
[Hazard]

Skin and eye irritant. Flammable, moderate fire risk.
[Health Hazard]

Contact will cause eye and skin irritation. Vapor exposure may cause eye and respiratory tract irritation.
[Potential Exposure]

It is used as a solvent or lacquer thinner; and in perfumes and flavoring
[Fire Hazard]

Special Hazards of Combustion Products: Irritating and toxic gases, such as carbon dioxide and carbon monoxide, may be produced in fire.
[First aid]

If this chemical gets into the eyes, remove any contact lenses at once and irrigate immediately for at least 15 minutes, occasionally lifting upper and lower lids. Seek medical attention immediately. If this chemical contacts the skin, remove contaminated clothing and wash immediately with soap and water. Seek medical attention immediately. If this chemical has been inhaled, remove from exposure, begin rescue breathing (using universal precautions, including resuscitation mask) if breathing has stopped and CPR if heart action has stopped. Transfer promptly to a medical facility. When this chemical has been swallowed, get medical attention. Give large quantities of water and induce vomiting. Do not make an unconscious person vomit.
[Shipping]

UN1914 Butyl propionates, Hazard Class: 3; Labels: 3—Flammable liquid
[Incompatibilities]

Vapor may form explosive mixture with air. Incompatible with oxidizers (chlorates, nitrates, peroxides, permanganates, perchlorates, chlorine, bromine, fluorine, etc.); contact may cause fires or explosions. Keep away from alkaline materials, strong bases, strong acids, oxoacids, epoxides. May accumulate static electrical charges and cause ignition of its vapors.
[Description]

Butyl propionate is a flammable, colorless tostraw-yellow liquid with an apple-like odor. Molecularweight = 130.2; Boiling point = 146℃; Specific gravity(H2O:1) = 0.87; Melting/Freezing point = - 90℃; Vaporpressure = 2.9 mmHg at 20℃; Relative density at 20℃ ofthe saturated vapor/air mixture (air = 1) = 1.01; Flashpoint = 32℃; Autoignition temperature = 426℃. HazardIdentification (based on NFPA-704 M Rating System):Health 2, Flammability 3, Reactivity 0. Practically insolublein water.
[Chemical Properties]

Butyl propionate has a characteristic earthy, faintly sweet odor and apricot-like taste.
[Chemical Properties]

Butyl propionate is a flammable, colorless to straw-yellow liquid with an apple-like odor.
[Waste Disposal]

Dissolve or mix the material with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber. All federal, state, and local environmental regulations must be observed.
[Occurrence]

Reported found in fresh apple, apple juice, melon, strawberry, Gruyere de Comte cheese and plum.
[Definition]

ChEBI: Butyl propionate is a propanoate ester of butan-1-ol. It has a role as a plant metabolite, a human metabolite, an insect attractant and a flavouring agent. It is functionally related to a butan-1-ol.
[Preparation]

By esterification of propionic acid with n-butyl alcohol in the presence of concentrated H2SO4 or p-toluene sulfonic acid.
[Aroma threshold values]

Detection: 25 to 440 ppb
[Synthesis Reference(s)]

Tetrahedron Letters, 14, p. 1823, 1973 DOI: 10.1016/S0040-4039(01)96249-5
[Flammability and Explosibility]

Flammable
[storage]

Color Code—Red: Flammability Hazard: Storein a flammable liquid storage area or approved cabinetaway from ignition sources and corrosive and reactivematerials. Protect against physical damage. Outside ordetached storage is preferred. Prior to working with butylpropionate you should be trained on its proper handlingand storage. Store in tightly closed containers in a cool,well-ventilated area away from incompatible materialslisted above. Metal containers involving the transfer ofthis chemical should be grounded and bonded. Drumsmust be equipped with self-closing valves, pressure vacuum bungs, and flame arresters. Use only nonsparkingtools and equipment, especially when opening and closingcontainers of this chemical. Sources of ignition, such assmoking and open flames, are prohibited where this chemical is used, handled, or stored in a manner that could create a potential fire or explosion hazard
[Toxics Screening Level]

The initial threshold screening level (ITSL) for n-butyl propionate is 102 μg/m3 (annual averaging time).
Spectrum DetailBack Directory
[Spectrum Detail]

Butyl propionate(590-01-2)MS
Butyl propionate(590-01-2)1HNMR
Butyl propionate(590-01-2)13CNMR
Butyl propionate(590-01-2)IR1
Butyl propionate(590-01-2)IR2
Butyl propionate(590-01-2)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

n-Butyl propionate, 99+%(590-01-2)
[Alfa Aesar]

n-Butyl propionate, 99%(590-01-2)
[Sigma Aldrich]

590-01-2(sigmaaldrich)
[TCI AMERICA]

Butyl Propionate,>99.0%(GC)(590-01-2)
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