|
|
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
* denotes mobile formatted website
Links to Resources
NLM Resources (File Locators)
Regulatory Agencies (Superlist Locators)
Other Resources (Internet Locators)
Search for this InChIKey on the Web
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.