Introduction:Basic information about CAS 115-19-5|3-Methyl butynol, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 3-Methyl butynol |
|---|
| CAS Number | 115-19-5 | Molecular Weight | 84.116 |
|---|
| Density | 0.9±0.1 g/cm3 | Boiling Point | 104.2±8.0 °C at 760 mmHg |
|---|
| Molecular Formula | C5H8O | Melting Point | 3 °C |
|---|
| MSDS | / | Flash Point | 25.0±0.0 °C |
|---|
Names
| Name | 2-Methyl-3-butyn-2-ol |
|---|
| Synonym | More Synonyms |
|---|
Chemical & Physical Properties
| Density | 0.9±0.1 g/cm3 |
|---|
| Boiling Point | 104.2±8.0 °C at 760 mmHg |
|---|
| Melting Point | 3 °C |
|---|
| Molecular Formula | C5H8O |
|---|
| Molecular Weight | 84.116 |
|---|
| Flash Point | 25.0±0.0 °C |
|---|
| Exact Mass | 84.057518 |
|---|
| PSA | 20.23000 |
|---|
| LogP | 0.32 |
|---|
| Vapour Pressure | 17.2±0.4 mmHg at 25°C |
|---|
| Index of Refraction | 1.444 |
|---|
| InChIKey | CEBKHWWANWSNTI-UHFFFAOYSA-N |
|---|
| SMILES | C#CC(C)(C)O |
|---|
| Stability | Stable. Flammable. Incompatible with strong oxidizing agents. |
|---|
| Water Solubility | miscible |
|---|
Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- ES0810000
- CHEMICAL NAME :
- 3-Butyn-2-ol, 2-methyl-
- CAS REGISTRY NUMBER :
- 115-19-5
- BEILSTEIN REFERENCE NO. :
- 0635746
- LAST UPDATED :
- 199710
- DATA ITEMS CITED :
- 8
- MOLECULAR FORMULA :
- C5-H8-O
- MOLECULAR WEIGHT :
- 84.13
- WISWESSER LINE NOTATION :
- QX1&1&1UU1
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 1950 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 115,230,1955
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 500 mg/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity) Behavioral - ataxia Lungs, Thorax, or Respiration - other changes
- 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: 31(4),55,1987
- TYPE OF TEST :
- LC50 - Lethal concentration, 50 percent kill
- ROUTE OF EXPOSURE :
- Inhalation
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 2 gm/m3
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity) Behavioral - ataxia Lungs, Thorax, or Respiration - other changes
- 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: 31(4),55,1987
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1161 mg/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity) Behavioral - convulsions or effect on seizure threshold
- REFERENCE :
- YKKZAJ Yakugaku Zasshi. Journal of Pharmacy. (Nippon Yakugakkai, 2-12-15 Shibuya, Shibuya-ku, Tokyo 150, Japan) No.1- 1881- Volume(issue)/page/year: 76,181,1956 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X1058 No. of Facilities: 67 (estimated) No. of Industries: 2 No. of Occupations: 5 No. of Employees: 3234 (estimated) No. of Female Employees: 2672 (estimated)
|
Safety Information
| Hazard Codes | Xn:Harmful; |
|---|
| Risk Phrases | R10;R22;R41 |
|---|
| Safety Phrases | S26-S39-S16 |
|---|
| RIDADR | UN 1987 3/PG 2 |
|---|
| WGK Germany | 1 |
|---|
| RTECS | ES0810000 |
|---|
| Packaging Group | II |
|---|
| Hazard Class | 3 |
|---|
| HS Code | 29052990 |
|---|
Customs
Synonyms
| 2-methylbut-3-yn-2-ol |
| 3-Methyl butynol |
| 3-Methyl-1-butyn-3-ol |
| 2-Methyl-3-butyn-2-ol |
| 3-Butyn-2-ol, 2-methyl- |
| MFCD00004467 |
| EINECS 204-070-5 |