CAS 115-19-5|3-Methyl butynol

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 Name3-Methyl butynol
CAS Number115-19-5Molecular Weight84.116
Density0.9±0.1 g/cm3Boiling Point104.2±8.0 °C at 760 mmHg
Molecular FormulaC5H8OMelting Point3 °C
MSDS/Flash Point25.0±0.0 °C

Names

Name2-Methyl-3-butyn-2-ol
SynonymMore Synonyms

Chemical & Physical Properties

Density0.9±0.1 g/cm3
Boiling Point104.2±8.0 °C at 760 mmHg
Melting Point3 °C
Molecular FormulaC5H8O
Molecular Weight84.116
Flash Point25.0±0.0 °C
Exact Mass84.057518
PSA20.23000
LogP0.32
Vapour Pressure17.2±0.4 mmHg at 25°C
Index of Refraction1.444
InChIKeyCEBKHWWANWSNTI-UHFFFAOYSA-N
SMILESC#CC(C)(C)O
StabilityStable. Flammable. Incompatible with strong oxidizing agents.
Water Solubilitymiscible

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 DATA

ACUTE 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 CodesXn:Harmful;
Risk PhrasesR10;R22;R41
Safety PhrasesS26-S39-S16
RIDADRUN 1987 3/PG 2
WGK Germany1
RTECSES0810000
Packaging GroupII
Hazard Class3
HS Code29052990

Customs

HS Code29052990

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
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