Crotonic acid a-Crotonic acid
Structural formula
| Business number | 02W1 |
|---|---|
| Molecular formula | C4H6O2 |
| Molecular weight | 86.09 |
| label |
(E)-Butenoic acid, Ethylene acetic acid, (E)-2-Butenoic acid, 1-carboxypropene, α-butenoic acid, 2-Butenoic acid, trans-2-Butenoic acid, 2-Butenoic acid, (E)-Crotonic acid, Aliphatic carboxylic acids and their derivatives, acidic solvent |
Numbering system
CAS number:107-93-7
MDL number:MFCD00002701
EINECS number:203-533-9
RTECS number:GQ2900000
BRN number:1719943
PubChem number:24856929
Physical property data
1. Properties: White monoclinic needle-shaped or prismatic crystals with a suffocating odor.
2. Density (g/mL, 25℃): 0.9604
3. Relative vapor density (g/mL, air=1): 2.97
4. Melting point (ºC): 71.6
5. Boiling point (ºC, normal pressure): 185
6. Boiling point (ºC, kPa): Undetermined
7. Refractive index (D20): 1.4249
8. Flash point (ºC): 87
9. Specific rotation (ºC): Not determined
10. Autoignition point or ignition temperature (ºC): Not determined
11. Vapor pressure (mmHg, 20ºC): Not determined
12. Saturated vapor pressure (kPa, 20ºC): 0.025
13. Heat of combustion (KJ/mol): Undetermined
14. Critical temperature (ºC ): Undetermined
15. Critical pressure (KPa): Undetermined
16. Log value of oil-water (octanol/water) partition coefficient: Undetermined
17. Explosion upper limit (%, V/V): 15 (171℃)
18. Explosion lower limit (%, V/V): 2.2 (135℃)
19. Solubility: soluble in water, soluble in ethanol, ether, toluene, acetone, etc.
Toxicological data
1. Mutagenicity
Sister chromatid exchange test of human lymphocytes: 10mmol/L;
Ecological data
This substance is slightly hazardous to water.
Molecular structure data
1. Molar refractive index: 22.20
2. Molar volume (cm3/mol): 82.8
3. Isotonic specific volume (90.2K ): 200.2
4. Surface tension (dyne/cm): 34.2
5. Polarizability (10-24cm3):8.80
Compute chemical data
1. Hydrophobic parameter calculation reference value (XlogP): 0.7
2. Number of hydrogen bond donors: 1
3. Number of hydrogen bond acceptors: 2
4. Number of rotatable chemical bonds: 1
5. Number of tautomers:
6. Topological molecular polar surface area (TPSA): 37.3
7. Number of heavy atoms: 6
8. Surface charge: 0
9. Complexity: 73.6
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. Uncertain number of atomic stereocenters: 0
13. Determine the number of chemical bond stereocenters Number: 1
14. Number of uncertain chemical bond stereocenters: 0
15. Number of covalent bond units: 1
Properties and stability
1. Avoid contact with strong oxidants and strong alkali.
2. Exist in smoke.
3. It has strong irritation. Corrosive,
4. Low, LD50 (rat, oral) 1000mg/kg
Storage method
Stored in a cool, ventilated warehouse. Keep away from fire and heat sources. They should be stored separately from oxidants and alkalis, and avoid mixed storage. Equipped with the appropriate variety and quantity of fire equipment. Suitable materials should be available in the storage area to contain spills.
Synthesis method
2. Oxidize crotonaldehyde with oxygen or air preparation.
Purpose
1. Prepare methyl methacrylate, and then polymerize it to obtain polymethyl methacrylate, commonly known as organic glass. Salts (such as sodium salt) and esters are also made as monomers and copolymerized with monomers such as acrylates to prepare polymers of different forms and properties for use in coatings, adhesives, plastics and other industries.
2. Used to produce vitamin A, etc.
