CAS 541-47-9|3,3-Dimethylacrylic acid
| Common Name | 3,3-Dimethylacrylic acid | ||
|---|---|---|---|
| CAS Number | 541-47-9 | Molecular Weight | 100.116 |
| Density | 1.0±0.1 g/cm3 | Boiling Point | 194.5±0.0 °C at 760 mmHg |
| Molecular Formula | C5H8O2 | Melting Point | 65-70 °C(lit.) |
| MSDS | ChineseUSA | Flash Point | 95.9±9.6 °C |
| Symbol | GHS05, GHS07 | Signal Word | Danger |
Names
| Name | 3-methylbut-2-enoic acid |
|---|---|
| Synonym | More Synonyms |
Chemical & Physical Properties
| Density | 1.0±0.1 g/cm3 |
|---|---|
| Boiling Point | 194.5±0.0 °C at 760 mmHg |
| Melting Point | 65-70 °C(lit.) |
| Molecular Formula | C5H8O2 |
| Molecular Weight | 100.116 |
| Flash Point | 95.9±9.6 °C |
| Exact Mass | 100.052429 |
| PSA | 37.30000 |
| LogP | 1.35 |
| Vapour Pressure | 0.2±0.7 mmHg at 25°C |
| Index of Refraction | 1.451 |
| InChIKey | YYPNJNDODFVZLE-UHFFFAOYSA-N |
| SMILES | CC(C)=CC(=O)O |
| Storage condition | -20°C |
Toxicological Information
CHEMICAL IDENTIFICATION |
ACUTE TOXICITY DATA - TYPE OF TEST :
- Open irritation test
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- REFERENCE :
- UCDS** Union Carbide Data Sheet. (Union Carbide Corp., 39 Old Ridgebury Rd., Danbury, CT 06817) Volume(issue)/page/year: 8/23/1967
- TYPE OF TEST :
- Standard Draize test
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- REFERENCE :
- 85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,309,1986
- TYPE OF TEST :
- Standard Draize test
- ROUTE OF EXPOSURE :
- Administration into the eye
- SPECIES OBSERVED :
- Rodent - rabbit
- REFERENCE :
- UCDS** Union Carbide Data Sheet. (Union Carbide Corp., 39 Old Ridgebury Rd., Danbury, CT 06817) Volume(issue)/page/year: 8/23/1967
- TYPE OF TEST :
- Standard Draize test
- ROUTE OF EXPOSURE :
- Administration into the eye
- SPECIES OBSERVED :
- Rodent - rabbit
- REFERENCE :
- 85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,309,1986 ** ACUTE TOXICITY DATA **
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 3560 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 28,313,1974
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 2580 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 29(4),52,1985
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- >3200 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 28,313,1974
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - guinea pig
- DOSE/DURATION :
- 3 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 29(4),52,1985 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-RUSSIA:STEL 10 mg/m3 JAN 1993
Safety Information
| Symbol | GHS05, GHS07 |
|---|---|
| Signal Word | Danger |
| Hazard Statements | H315-H318-H335 |
| Precautionary Statements | P261-P280-P305 + P351 + P338 |
| Personal Protective Equipment | dust mask type N95 (US);Eyeshields;Gloves |
| Hazard Codes | Xi:Irritant; |
| Risk Phrases | R37/38;R41 |
| Safety Phrases | S26-S36/37/39 |
| RIDADR | 3261 |
| WGK Germany | 1 |
| RTECS | GQ5425000 |
| Packaging Group | III |
| Hazard Class | 8 |
| HS Code | 2916190090 |
Customs
| HS Code | 2916190090 |
|---|---|
| Summary | 2916190090 unsaturated acyclic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives。supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward)。VAT:17.0%。tax rebate rate:9.0%。MFN tariff:6.5%。general tariff:30.0% |
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Synonyms
| 3-Methyl-2-butenoic acid |
| EINECS 208-782-7 |
| β-Methylcrotonic acid |
| QV1UY1&1 |
| 3-Methylcrotonate |
| Senecic acid |
| 2-Butenoic acid, 3-methyl- |
| But-2-enoic acid, 3-methyl- |
| Crotonic acid, 3-methyl- |
| Senecioic acid |
| 3,3-Dimethylacrylic acid |
| 3-Methylcrotonic acid |
| 3-Methylbut-2-enoic acid |
| MFCD00004366 |
