ChemicalBook--->CAS DataBase List--->592-84-7

592-84-7

592-84-7 Structure

592-84-7 Structure
IdentificationMore
[Name]

Butyl formate
[CAS]

592-84-7
[Synonyms]

BUTYL FORMATE
BUTYL METHANOATE
FEMA 2196
FORMIC ACID BUTYL ESTER
FORMIC ACID N-BUTYL ESTER
N-BUTYL FORMATE
1-butylformate
Butylester kyseliny mravenci
butylesterkyselinymravenci
HCOO(CH2)3CH3
Methanoicacid,butylester
Methanoicacidbutylester
n-Butyl methanoate
BUTYL FORMATE 97+%
n-Butylformate,97%
BUTYL FORMATE, NATURAL
Butylformiate
Butoxyformaldehyde
Formic acid butyl
[EINECS(EC#)]

209-772-5
[Molecular Formula]

C5H10O2
[MDL Number]

MFCD00003296
[Molecular Weight]

102.13
[MOL File]

592-84-7.mol
Chemical PropertiesBack Directory
[Appearance]

CLEAR COLORLESS TO YELLOWISH LIQUID
[Melting point ]

-91 °C
[Boiling point ]

106-107 °C (lit.)
[density ]

0.894
[FEMA ]

2196
[refractive index ]

n20/D 1.389(lit.)
[Fp ]

57 °F
[storage temp. ]

Flammables area
[solubility ]

Slightly soluble in water, miscible with alcohol and oils.
[form ]

Liquid
[color ]

Clear colorless to yellow
[Odor]

at 10.00 % in dipropylene glycol. fruity plum rum brandy
[biological source]

synthetic
[explosive limit]

1.7-8.2%(V)
[Odor Threshold]

0.087ppm
[Odor Type]

fruity
[Water Solubility ]

SLIGHTLY SOLUBLE
[Specific Heat Capacity]

Cp(liquid):200.2J/(g·K),at 25℃
[Thermal Conductivity]

0.13 W/(m·K) at 25 ℃
[JECFA Number]

118
[BRN ]

1742108
[Henry's Law Constant]

2.6×10-2 mol/(m3Pa) at 25℃, Brockbank (2013)
[Dielectric constant]

2.4(80℃)
[Major Application]

flavors and fragrances
[Cosmetics Ingredients Functions]

PERFUMING
[InChI]

1S/C5H10O2/c1-2-3-4-7-5-6/h5H,2-4H2,1H3
[InChIKey]

NMJJFJNHVMGPGM-UHFFFAOYSA-N
[SMILES]

CCCCOC=O
[LogP]

1.30
[Uses]

Solvent for nitrocellulose, some types of cel- lulose acetate, many cellulose ethers, many natural and synthetic resins, lacquers, perfumes, organic synthesis (intermediate), flavoring.
[CAS DataBase Reference]

592-84-7(CAS DataBase Reference)
[NIST Chemistry Reference]

Formic acid, butyl ester(592-84-7)
[EPA Substance Registry System]

592-84-7(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

F,Xi
[Risk Statements ]

R11:Highly Flammable.
R36/37:Irritating to eyes and respiratory system .
[Safety Statements ]

S9:Keep container in a well-ventilated place .
S16:Keep away from sources of ignition-No smoking .
S24:Avoid contact with skin .
S33:Take precautionary measures against static discharges .
[RIDADR ]

UN 1128 3/PG 2
[WGK Germany ]

1
[RTECS ]

LQ5500000
[TSCA ]

Yes
[HazardClass ]

3
[PackingGroup ]

II
[HS Code ]

29151300
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

Eye Irrit. 2
Flam. Liq. 2
STOT SE 3
[Safety Profile]

Moderately toxic by ingestion. Mildly toxic by inhalation. Human systemic effects by inhalation: muscle contractions and spasticity, conjunctiva irritation, and unspecified respiratory changes. An irritant and narcotic in high concentrations. See also ESTERS, nBUTYL ALCOHOL, and FORMIC ACID. Dangerous fire hazard when exposed to heat or flame. To fight fire, use alcohol foam, foam, CO2, dry chemical. Incompatible with oxidizing materials. When heated to decomposition it emits acrid and irritating fumes.
Raw materials And Preparation ProductsBack Directory
[Raw materials]

1-Butanol-->(-)-Menthyl chloroformate-->Formic acid isopropyl ester-->1H-Benzotriazole-1-carboxaldehyde-->Butyl levulinate-->Butyl chloroformate-->Chloroform
[Preparation Products]

Bumetanide-->2-ethyl-1,3-dioxolane-->Butyl fumarate mono-->4-Methylformanilide
Hazard InformationBack Directory
[General Description]

A clear colorless liquid. Flash point 64°F. Less dense than water. Vapors heavier than air.
[Reactivity Profile]

N-BUTYL FORMATE(592-84-7) 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. Can generate electrostatic charges [Handling Chemicals Safely 1980. p. 247].
[Air & Water Reactions]

Highly flammable. Slightly soluble in water.
[Hazard]

Narcotic and irritating in high concentra- tion. Flammable, dangerous fire risk.
[Health Hazard]

Exposure can cause irritation of eyes, nose and throat. High concentrations have a narcotic effect.
[Chemical Properties]

Butyl formate has a fruity, plum-like odor and corresponding taste.
[Chemical Properties]

CLEAR COLORLESS TO YELLOWISH LIQUID
[Occurrence]

Reported found in fresh apple, strawberry fruit, cloudberry, sherry and Parmesan cheese.
[Definition]

ChEBI: Butyl formate is a formate ester resulting from the formal condensation of formic acid with the hydroxy group of butan-1-ol. Found in apples, strawberries, sherry and Pamesan cheese, it has a fruity, plum-like odour and taste. It has a role as a polar aprotic solvent, a flavouring agent and a fragrance. It is functionally related to a butan-1-ol.
[Preparation]

By azeotropic distillation of formic acid and n-butyl alcohol with isopropyl formate; by boiling n-butyl alcohol and formamide in the presence on ZnCl, ZnSo4 or HgCl2.
[Aroma threshold values]

Detection: 800 ppb to 6 ppm
[Synthesis Reference(s)]

Journal of the American Chemical Society, 109, p. 3330, 1987 DOI: 10.1021/ja00245a024
[Purification Methods]

Wash the formate with saturated NaHCO3 solution in the presence of saturated NaCl, until no further reaction occurs, then with saturated NaCl solution, dry (MgSO4), filter and fractionally distil the filtrate. [Beilstein 2 IV 28.]
[Toxics Screening Level]

The initial threshold screening level (ITSL) for butyl formate is 0.1 μg/m3 (averaging time).
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Butyl methanoate(592-84-7).msds
Spectrum DetailBack Directory
[Spectrum Detail]

Butyl formate(592-84-7)MS
Butyl formate(592-84-7)1HNMR
Butyl formate(592-84-7)13CNMR
Butyl formate(592-84-7)IR1
Butyl formate(592-84-7)IR2
Butyl formate(592-84-7)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Butyl formate, 98%(592-84-7)
[Alfa Aesar]

n-Butyl formate, 97%(592-84-7)
[Sigma Aldrich]

592-84-7(sigmaaldrich)
[TCI AMERICA]

Butyl Formate,>95.0%(GC)(592-84-7)
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