3-methyl-3-buten-2-one
3-butene-2-one, 3-methyl
Identification
| Name | 3-methyl-3-buten-2-one |
| IUPAC | 3-methylbut-3-en-2-one |
| CAS Number | 814-78-8 |
| EINECS | 212-405-1 |
| FDA UNII | F64867GQVB |
| Molecular Formula | C5 H8 O |
| Molecular Weight | 84.11796000 |
| MDL Number | MFCD00059207 |
| Nikkaji Number | J35.118K |
| Beilstein | 1071241 |
Regulatory
| FDA Mainterm (SATF) | 814-78-8 ; 3-METHYL-3-BUTEN-2-ONE |
Physical Properties
| Appearance | colorless clear liquid (est) |
| Assay | 95.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Melting Point | -54.00 °C. @ 760.00 mm Hg |
| Boiling Point | 97.00 to 99.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 40.722000 mmHg @ 25.00 °C. (est) |
| Flash Point | 51.00 °F. TCC ( 10.56 °C. ) |
| logP (o/w) | 0.561 (est) |
| Shelf Life | 6.00 month(s) or longer if stored properly. |
| Storage | refrigerate in tightly sealed containers. |
| Soluble in | alcohol |
| Insoluble in | water |
No sensory data available
Safety Information
| Preferred SDS | View |
| Oral/Parenteral Toxicity | oral-rat LD50 180 mg/kg |
| Dermal Toxicity | skin-rabbit LD50 230 ul/kg |
| Inhalation Toxicity | inhalation-guinea pig LCLo 250 ppm/4H |
GHS Classification
['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']
Safety in Use
| Category | natural substances and extractives |
| Recommendation for 3-methyl-3-buten-2-one usage levels up to | not for fragrance use. |
| Recommendation for 3-methyl-3-buten-2-one flavor usage levels up to | not for flavor use. |
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Potential Uses
Natural Occurrence
Synonyms
3-
buten-2-one, 3-methyl-
3-
butene-2-one, 3-methyl
ketone, methyl isopropenyl
3-
methyl but-3-en-2-one
methyl isopropenyl ketone
2-
methyl-1-buten-3-one
2-
methyl-1-butene-3-one
3-
methyl-3-butene-2-one
3-
methylbut-3-en-2-one
3-
methylene-2-butanone
propen-2-yl methyl ketone
iso
propenyl methyl ketone
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