105-76-0
Product Name:
n-Butyl fumarate
Formula:
C12H20O4
Synonyms:
Maleic acid dibutyl ester
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CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Liquid |
|---|---|
| Kovats Retention Index | 1505 1505 1505 |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07  Health Hazard GHS08  Environment GHS09 |
| GHS Hazard Statements |
H317:Sensitisation, Skin H373:Specific target organ toxicity, repeated exposure H411:Hazardous to the aquatic environment, long-term hazard |
| Precautionary Statement Codes |
P260:Do not breathe dust/fume/gas/mist/vapours/spray. P272:Contaminated work clothing should not be allowed out of the workplace. P273:Avoid release to the environment. P280:Wear protective gloves/protective clothing/eye protection/face protection. P314:Get medical advice/attention if you feel unwell. P302+P352:IF ON SKIN: wash with plenty of soap and water. |
COMPUTED DESCRIPTORS
| Molecular Weight | 228.28 g/mol |
|---|---|
| XLogP3 | 2.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 10 |
| Exact Mass | 228.13615911 g/mol |
| Monoisotopic Mass | 228.13615911 g/mol |
| Topological Polar Surface Area | 52.6 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 209 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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