ChemicalBook--->CAS DataBase List--->97-96-1

97-96-1

97-96-1 Structure

97-96-1 Structure
IdentificationMore
[Name]

2-ETHYLBUTYRALDEHYDE
[CAS]

97-96-1
[Synonyms]

2-ETHYLBUTANAL
2-ETHYLBUTYLALDEHYDE
2-ETHYLBUTYRALDEHYDE
DIETHYLACETALDEHYDE
FEMA 2426
(C2H5)2CHCHO
2-ethyl-butana
2-Ethylbutylaldehyd
2-Ethylbutyraldehyd
2-ethyl-butyraldehyd
2-Ethylbutyric aldehyde
2-Ethylbutyric aledhyde
2-Ethylbutyricaldehyde
2-ethylbutyricaledhyde
3-Formylpentane
Aldehyde 2-ethylbutyrique
aldehyde2-ethylbutyrique
alpha-Ethylbutyraldehyde
Butanal,2-ethyl-
Butyraldehyde, 2-ethyl-
[EINECS(EC#)]

202-623-5
[Molecular Formula]

C6H12O
[MDL Number]

MFCD00006985
[Molecular Weight]

100.16
[MOL File]

97-96-1.mol
Chemical PropertiesBack Directory
[Appearance]

Ethyl butyraldehyde is a colorless liquid
[Melting point ]

-89°C
[Boiling point ]

117 °C(lit.)
[density ]

0.814 g/mL at 25 °C(lit.)
[FEMA ]

2426
[refractive index ]

n20/D 1.402(lit.)
[Fp ]

70 °F
[storage temp. ]

Flammables area
[form ]

clear liquid
[color ]

Colorless to Light yellow
[Odor]

at 10.00 % in dipropylene glycol. sweet green ethereal fruity cocoa
[Stability:]

Stability Stable, but air sensitive. Flammable. Readily forms explosive mixtures with air. Incompatible with strong bases, strong reducing agents, oxidizing agents.
[Odor Type]

green
[Water Solubility ]

Soluble in ether and alcohols. Slightly soluble in water.
[Sensitive ]

Air Sensitive
[JECFA Number]

256
[BRN ]

1209330
[Henry's Law Constant]

4.0×10-2 mol/(m3Pa) at 25℃, Yaws (2003)
[InChI]

1S/C6H12O/c1-3-6(4-2)5-7/h5-6H,3-4H2,1-2H3
[InChIKey]

UNNGUFMVYQJGTD-UHFFFAOYSA-N
[SMILES]

CCC(CC)C=O
[LogP]

1.73
[Uses]

Organic synthesis, pharmaceuticals, rubber accelerators, synthetic resins.
[CAS DataBase Reference]

97-96-1(CAS DataBase Reference)
[Storage Precautions]

Store under nitrogen
[EPA Substance Registry System]

Butanal, 2-ethyl- (97-96-1)
Safety DataBack Directory
[Hazard Codes ]

F,Xi
[Risk Statements ]

R11:Highly 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:Wear suitable protective clothing .
[RIDADR ]

UN 1178 3/PG 2
[WGK Germany ]

1
[RTECS ]

ES2625000
[TSCA ]

Yes
[HazardClass ]

3
[PackingGroup ]

II
[HS Code ]

29121900
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

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

Moderately toxic by ingestion. Mildly toxic by inhalation. A skin irritant. Flammable liquid. Can react vigorously with oxidizing materials. To fight fire, use alcohol foam, Co2, dry chemical. When heated to decomposition it emits acrid smoke and fumes. See also ALDEHYDES.
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Crotonaldehyde (trans predominantly)-->3-Pentanol
[Preparation Products]

2-Ethylbutyric acid-->Butanal, 2-ethyl-,oxiMe-->Acetal-->Norvaline, 3-ethyl-N-[(phenylmethoxy)carbonyl]--->1-Propanol, 2-[(2-ethylbutyl)amino]-2-methyl--->2-Ethyl-1-buten-1-yl Propionate-->4,4-diethylcyclohexanone-->5-(neo-Pentyl)hydantoin
Hazard InformationBack Directory
[General Description]

A clear colorless liquid. Flash point 70°F. Less dense than water and insoluble in water. Vapors heavier than air.
[Reactivity Profile]

2-ETHYLBUTYRALDEHYDE(97-96-1) is an aldehyde. Aldehydes are frequently involved in self-condensation or polymerization reactions. These reactions are exothermic; they are often catalyzed by acid. Aldehydes are readily oxidized to give carboxylic acids. Flammable and/or toxic gases are generated by the combination of aldehydes with azo, diazo compounds, dithiocarbamates, nitrides, and strong reducing agents. Aldehydes can react with air to give first peroxo acids, and ultimately carboxylic acids. These autoxidation reactions are activated by light, catalyzed by salts of transition metals, and are autocatalytic (catalyzed by the products of the reaction). The addition of stabilizers (antioxidants) to shipments of aldehydes retards autoxidation.
[Air & Water Reactions]

Highly flammable. With air slowly form peroxides. Insoluble in water.
[Hazard]

Irritant to eyes and skin. Flammable, dangerous fire risk.
[Health Hazard]

May cause toxic effects if inhaled or absorbed through skin. Inhalation or contact with material may irritate or burn skin and eyes. Fire will produce irritating, corrosive and/or toxic gases. Vapors may cause dizziness or suffocation. Runoff from fire control or dilution water may cause pollution.
[Potential Exposure]

Used in organic synthesis of pharmaceuticals and rubber chemicals.
[Fire Hazard]

HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. Vapors may form explosive mixtures with air. Vapors may travel to source of ignition and flash back. Most vapors are heavier than air. They will spread along ground and collect in low or confined areas (sewers, basements, tanks). Vapor explosion hazard indoors, outdoors or in sewers. Runoff to sewer may create fire or explosion hazard. Containers may explode when heated. Many liquids are lighter than water.
[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 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]

UN1178 2-Ethyl butyraldehyde, Hazard Class: 3; Labels: 3-Flammable liquid
[Incompatibilities]

Vapors 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, and reducing agents. Aldehydes are frequently involved in self-condensation or polymerization reactions. These reactions are exothermic; they are often catalyzed by acid. Aldehydes are readily oxidized to give carboxylic acids. Flammable and/or toxic gases are generated by the combination of aldehydes with azo, diazo compounds, dithiocarbamates, nitrides, and strong reducing agents. Aldehydes can react with air to give first peroxo acids, and ultimately carboxylic acids. These autoxidation reactions are activated by light, catalyzed by salts of transition metals, and are autocatalytic (catalyzed by the products of the reaction). The addition of stabilizers (antioxidants) to shipments of aldehydes retards autoxidation
[Description]

Ethyl butyraldehyde is a colorless liquid.Molecular weight = 100.18; Boiling point = 116.8℃;Freezing/Melting point = - 89℃; Flash point = 21℃ (oc).Explosive limits: LEL = 1.2%; UEL = 7.7%. HazardIdentification (based on NFPA-704 M Rating System):Health 2, Flammability 3, Reactivity 1. Insoluble in water.
[Chemical Properties]

2-Ethylbutyraldehyde has a pungent odor.
[Chemical Properties]

Colorless liquid.Insoluble in water.
[Chemical Properties]

Ethyl butyraldehyde is a colorless liquid
[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. Consult with environmental regulatory agencies for guidance on acceptable disposal practices. Generators of waste containing this contaminant (≥100 kg/mo) must conform with EPA regulations governing storage, transportation, treatment, and waste disposal.
[Occurrence]

Reported found in melon, French fried potato, wheaten bread, scallops, citrus fruits, white bread and maize.
[Definition]

ChEBI: 2-Ethylbutanal is an organooxygen compound.
[Taste threshold values]

Taste characteristics at 20 ppm: green, fruity, cocoa with sweet, fresh nuances.
[Synthesis]

From diethyl carbinol and anhydrous oxalic acid or with sulfuric acid; a more recent synthetic route (Xeisel–Neuwirth method) calls for the reduction of α-vinylcrotonaldehyde using iron dust and acetic acid
[storage]

Color Code—Red: Flammability Hazard: Store ina flammable liquid storage area or approved cabinet awayfrom ignition sources and corrosive and reactive materials.Prior to working with this chemical you should be trainedon its proper handling and storage. Before entering confinedspace where this chemical may be present, check to makesure that an explosive concentration does not exist. Store intightly closed containers in a cool, well-ventilated areaaway from oxidizers. Where possible, automatically pumpliquid from drums or other storage containers to processcontainers
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

2-ethylbutyraldehyde(97-96-1).msds
Spectrum DetailBack Directory
[Spectrum Detail]

2-ETHYLBUTYRALDEHYDE(97-96-1)MS
2-ETHYLBUTYRALDEHYDE(97-96-1)1HNMR
2-ETHYLBUTYRALDEHYDE(97-96-1)13CNMR
2-ETHYLBUTYRALDEHYDE(97-96-1)IR1
2-ETHYLBUTYRALDEHYDE(97-96-1)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

2-Ethylbutyraldehyde, 98%(97-96-1)
[Alfa Aesar]

2-Ethylbutyraldehyde, 98%(97-96-1)
[Sigma Aldrich]

97-96-1(sigmaaldrich)
[TCI AMERICA]

2-Ethylbutyraldehyde,>95.0%(GC)(97-96-1)
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