541-47-9
Product Name:
3,3-Dimethylacrylic acid
Formula:
C5H8O2
Synonyms:
3,3-Dimethylacrylic acid;3-Methyl-2-butenoic acid;3-Methylcrotonic acid;Senecioic acid
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Slightly yellow crystalline powder; [Acros Organics MSDS] |
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Boiling Point | 195.00 to 197.00 °C. @ 760.00 mm Hg |
Melting Point | 65 °C |
Solubility | 10 mg/mL |
Kovats Retention Index | 1027 |
Chemical Classes | Other Classes -> Organic Acids |
SAFETY INFORMATION
Signal word | Danger |
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Pictogram(s) |
Corrosion Corrosives GHS05 Exclamation Mark Irritant GHS07 |
GHS Hazard Statements |
H315:Skin corrosion/irritation H318:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P271:Use only outdoors or in a well-ventilated area. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of soap and water. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
COMPUTED DESCRIPTORS
Molecular Weight | 100.12 g/mol |
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XLogP3 | 1.2 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 2 |
Rotatable Bond Count | 1 |
Exact Mass | 100.052429494 g/mol |
Monoisotopic Mass | 100.052429494 g/mol |
Topological Polar Surface Area | 37.3 Ų |
Heavy Atom Count | 7 |
Formal Charge | 0 |
Complexity | 98.6 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
3-methylbut-2-enoic acid is a methyl-branched fatty acid that is but-2-enoic acid bearing a methyl substituent at position 3. It has a role as a plant metabolite. It is a monounsaturated fatty acid, a short-chain fatty acid, a methyl-branched fatty acid and an alpha,beta-unsaturated monocarboxylic acid. It is functionally related to a 2-butenoic acid.