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Substance Name: Crotonic acid
RN: 3724-65-0
InChIKey: LDHQCZJRKDOVOX-NSCUHMNNSA-N
Classification Code
- Skin / Eye Irritant
Molecular Formula
- C4-H6-O2
Molecular Weight
- 86.0894
- All
- Links to Resources
- Names & Synonyms
- Registry Numbers
- Structure Descriptors
- Toxicity
- Physical Properties
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Names and Synonyms
Name of Substance
- Crotonic acid
Synonyms
- 2-Butenoic acid
- 3-Methylacrylic acid
- Acrylic acid, 3-methyl-
- AI3-06287
- alpha-Butenoic acid
- alpha-Crotonic acid
- beta-Methacrylic acid
- beta-Methylacrylic acid
- BRN 1098434
- Crotonic acid
- EINECS 223-077-4
- HSDB 2814
- Kyselina krotonova
- Kyselina krotonova [Czech]
- NSC 206946
- Solid crotonic acid
Systematic Names
- 2-Butenoic acid
- Crotonic acid
Superlist Names
- 2-Butenoic acid
- Crotonic acid
- Crotonic acid, liquid
- Crotonic acid, liquid [UN2823] [Corrosive]
- Crotonic acid, solid
- Crotonic acid, solid [UN2823] [Corrosive]
- UN2823
Registry Numbers
CAS Registry Number
- 3724-65-0
Other Registry Number
- 15105-17-6
System Generated Number
- 0003724650
Structure Descriptors
InChI
InChI=1S/C4H6O2/c1-2-3-4(5)6/h2-3H,1H3,(H,5,6)/b3-2+InChIKey
LDHQCZJRKDOVOX-NSCUHMNNSA-NSmiles
C\C=C\C(=O)Toxicity
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| guinea pig | LD50 | skin | 200mg/kg (200mg/kg) | "Patty's Industrial Hygiene and Toxicology," 3rd rev. ed., Clayton, G.D., and F.E. Clayton, eds., New York, John Wiley & Sons, Inc., 1978-82. Vol. 3 originally pub. in 1979; pub. as 2n rev. ed. in 1985.Vol. 2C, Pg. 4953, 1982. | |
| mouse | LD50 | intraperitoneal | 25mg/kg (25mg/kg) | "Patty's Industrial Hygiene and Toxicology," 3rd rev. ed., Clayton, G.D., and F.E. Clayton, eds., New York, John Wiley & Sons, Inc., 1978-82. Vol. 3 originally pub. in 1979; pub. as 2n rev. ed. in 1985.Vol. 2C, Pg. 4953, 1982. | |
| mouse | LD50 | oral | 4800mg/kg (4800mg/kg) | Biochemical Journal. Vol. 34, Pg. 1196, 1940. | |
| mouse | LD50 | subcutaneous | 3590mg/kg (3590mg/kg) | Journal of Pharmacy and Pharmacology. Vol. 21, Pg. 85, 1969. | |
| rabbit | LD50 | skin | 600mg/kg (600mg/kg) | "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 309, 1986. | |
| rat | LD50 | oral | 1gm/kg (1000mg/kg) | Journal of Industrial Hygiene and Toxicology. Vol. 26, Pg. 269, 1944. |
Physical Properties
| Physical Property | Value | Units | Temp (deg C) | Source |
|---|---|---|---|---|
| Melting Point | 72 | deg C | EXP | |
| Boiling Point | 185 | deg C | EXP | |
| pKa Dissociation Constant | 4.17 | (none) | 18 | EXP |
| log P (octanol-water) | 0.72 | (none) | EXP | |
| Water Solubility | 8.60E+04 | mg/L | 25 | EXP |
| Henry's Law Constant | 4.28E-07 | atm-m3/mole | 25 | EST |
| Atmospheric OH Rate Constant | 2.04E-11 | cm3/molecule-sec | 25 | EST |
Physical property data is provided to ChemIDplus by SRC, Inc.