Crotonic acid
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Crotonic acid
structure -
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CAS No:
3724-65-0
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Formula:
C4H6O2
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Chemical Name:
Crotonic acid
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Synonyms:
2-Butenoic acid;Crotonic acid;α-Butenoic acid;3-Methylacrylic acid;NSC 206946;15105-17-6
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CAS No:
Description
Crotonic acid is a white or colorless, crystalline solid with a pungent odor. May be transported as a molten liquid.
Characteristics
37.3
0.7
Crotonic acid appears as a white crystalline solid. Shipped as either a solid or liquid. Soluble in water and less dense than water. Corrosive to metals and tissue.
1.018 g/cm3 @ Temp: 15 °C
72 °C
185 °C
190 °F
1.4455 (20ºC)
H2O: soluble
Store in a cool, dry place. Keep container closed when not in use. Corrosives area.
0.19 mm Hg ( 20 °C)
2.97 (vs air)
Oral-rat LD50: 1000 mg/kg; Oral-Mouse LD50: 4800 mg/kg
Flammable; decomposes toxic fumes when heated
EXPLOSIONS HAVE OCCURRED.
4.17(at 18 °C)
Safety Information
III
8
UN 2823 8/PG 3
3
21/22-34
26-36/37/39-45
GQ2900000
C
The warehouse is ventilated, low temperature and dry; stored separately from oxidants and alkalis
Stable under normal temperatures and pressures.
P264, P270, P280, P301+P312, P302+P352, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P405, P501
H302
Crotonic acid Use and Manufacturing
Trans-butenoic acid is mainly used for making synthetic resins, plasticizers, medicines, but also for other organic synthesis
2-Butenedioic acid (2E)-, polymer with 2,2-dimethyl-1,3-propanediol and .alpha.,.alpha.'-[(1-methylethylidene)di-4,1-phenylene]bis[.omega.-hydroxypoly[oxy(methyl-1,2-ethanediyl)]]: INACTIVE|XU - indicates a substance exempt from reporting under the Chemical Data Reporting Rule, (40 CFR 711).
Fatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Unsaturated fatty acids [FA0103]|Cosmetics -> Stabilizing
Computed Properties
Molecular Weight:86.09
XLogP3:0.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:86.036779430
Monoisotopic Mass:86.036779430
Topological Polar Surface Area:37.3
Heavy Atom Count:6
Complexity:73.6
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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