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814-78-8

814-78-8 Structure

814-78-8 Structure
IdentificationBack Directory
[Name]

3-Methyl-3-buten-2-one
[CAS]

814-78-8
[Synonyms]

Stabilizedwithhq
methylbutenone[qr]
CH2=C(CH3)C(=O)CH3
3-Methyl-3-buten-2-on
3-methylbut-3-en-2-one
3-Methylene-2-butanone
3-METHYL-3-BUTEN-2-ONE
2-Methyl-1-buten-3-one
Methylisopropenylketon
3-methyl-but-3-en-2-one
3-METHYL-3-BUTENE-2-ONE
Propen-2-ylmethylketone
3-Buten-2-one,3-methyl-
2-Methyl-1-butene-3-one
ketone,methylisopropenyl
ISOPROPENYL METHYL KETONE
METHYL ISO-PROPENYL KETONE
2-methyl-1-buten-3-one[qr]
Ketone, methyl isopropenyl
3-Methyl-3-buten-2-one 
2-methyl-1-butene-3-one[qr]
3-butene-2-one,3-methyl[qr]
3-methyl-3-butene-2-one[qr]
isopropenylmethylketone[qr]
3-methyl-3-buten-2-on[german][qr]
methylisopropenylketone,inhibited
3-Methyl-3-buten-2-one (stabilized with HQ)
3-METHYL-3-BUTEN-2-ONE (STABILIZED WITH HQ) 95+%
3-Methyl-3-buten-2-one (stabilized with HQ), 95.0%(GC)
3- Methyl-3- butene-2- one (methyl isopropenyl ketone)
[EINECS(EC#)]

212-405-1
[Molecular Formula]

C5H8O
[MDL Number]

MFCD00059207
[MOL File]

814-78-8.mol
[Molecular Weight]

84.12
Chemical PropertiesBack Directory
[Melting point ]

-54°C
[Boiling point ]

98°C
[density ]

0,86 g/cm3
[refractive index ]

1.4210 to 1.4250
[Fp ]

9°C
[storage temp. ]

Freezer
[solubility ]

Chloroform (Sparingly), Ethyl Acetate (Slightly), Methanol (Slightly)
[Water Solubility ]

Slightly soluble in water
[form ]

clear liquid
[color ]

Colorless to Light yellow
[Odor]

Very pungent; pleasant; sweet.
[InChI]

1S/C5H8O/c1-4(2)5(3)6/h1H2,2-3H3
[InChIKey]

ZGHFDIIVVIFNPS-UHFFFAOYSA-N
[SMILES]

CC(=C)C(C)=O
[LogP]

0.561 (est)
[Uses]

Plastics.
[CAS DataBase Reference]

814-78-8
[NIST Chemistry Reference]

3-Buten-2-one, 3-methyl-(814-78-8)
[EPA Substance Registry System]

3-Buten-2-one, 3-methyl-(814-78-8)
Hazard InformationBack Directory
[Chemical Properties]

Colorless or light yellow transparent liquid
[General Description]

A clear colorless liquid. Flash point of 52°F. Denser than water and insoluble in water. Hence sinks in water. Vapors heavier than air.
[Air & Water Reactions]

Highly flammable. Insoluble in water.
[Reactivity Profile]

3-Methyl-3-buten-2-one tends to polymerize; this reaction is mostly suppressed by the inhibitor. Can polymerize if heated or contaminated. If confined in a container when polymerization is initiated, the container may violently rupture [USCG, 1999].
[Health Hazard]

Inhalation causes irritation of nose and throat. Liquid may cause severe damage to eyes, resulting possibly in some permanent impairment of vision; vapor produces tears. If not removed promptly from skin, liquid may cause delayed pain and blistering. Ingestion causes irritation of mouth and stomach.
[Fire Hazard]

Behavior in Fire: May polymerize and explode.
[Hazard]

Flammable, dangerous fire risk, explosivelimits in air 1.8–9.0%.
[Definition]

ChEBI: 3-Methyl-3-buten-2-one is an olefinic compound. It is functionally related to an acrylic acid.
[Production Methods]

3-Methyl-3-buten-2-one is produced by acid-catalyzed condensation of 2-butanone with formaldehyde in the liquid phase. A further possibility is the methylolization of 2- butanone under alkaline conditions followed by elimination of water:
3-Methyl-3-buten-2-one synthesis
[Chemical Reactivity]

Reactivity with Water: No reaction; Reactivity with Common Materials: No reaction; Stability During Transport: Stable; Neutralizing Agents for Acids and Caustics: Not pertinent; Polymerization: Will polymerize in the absence of inhibitor, especially when heated; Inhibitor of Polymerization: Up to 1% hydroquinone.
Safety DataBack Directory
[Hazard Codes ]

F,T+
[Risk Statements ]

11-23/24/25-36/37/38-27-25
[Safety Statements ]

16-29-33-36/37/39-45-28-26
[RIDADR ]

1246
[WGK Germany ]

WGK 3
[RTECS ]

EN0175000
[TSCA ]

TSCA listed
[HazardClass ]

3.1
[PackingGroup ]

II
[HS Code ]

29141900
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

Acute Tox. 1 Dermal
Acute Tox. 3 Oral
Eye Irrit. 2
Flam. Liq. 2
Skin Irrit. 2
STOT SE 3
[Safety Profile]

Poison by ingestion and skin contact. Moderately toxic by inhalation and intraperitoneal routes. A skin and severe eye irritant. A dangerous fire hazard when exposed to heat or flame. Explosive in the form of vapor when exposed to heat or flame. When heated to decomposition it emits acrid smoke and irritating fumes.
[Hazardous Substances Data]

814-78-8(Hazardous Substances Data)
Spectrum DetailBack Directory
[Spectrum Detail]

3-Methyl-3-buten-2-one(814-78-8)1HNMR
3-Methyl-3-buten-2-one(814-78-8)13CNMR
3-Methyl-3-buten-2-one(814-78-8)Raman
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