2-Metbut-1-en-1yne

Suppliers

Names

[ CAS No. ]:
78-80-8

[ Name ]:
2-Metbut-1-en-1yne

[Synonym ]:
2-methylbut-1-en-3-yne
EINECS 201-144-9
MFCD00008599
2-Metbut-1-en-1yne

Chemical & Physical Properties

[ Density]:
0.695 g/mL at 25 °C(lit.)

[ Boiling Point ]:
32 °C(lit.)

[ Melting Point ]:
-113 °C

[ Molecular Formula ]:
C5H6

[ Molecular Weight ]:
66.10110

[ Flash Point ]:
20 °F

[ Exact Mass ]:
66.04700

[ LogP ]:
1.19570

[ Vapour Pressure ]:
8.96 psi ( 20 °C)

[ Index of Refraction ]:
n20/D 1.416(lit.)

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
EN0960000
CHEMICAL NAME :
1-Buten-3-yne, 2-methyl-
CAS REGISTRY NUMBER :
78-80-8
BEILSTEIN REFERENCE NO. :
0969175
LAST UPDATED :
199712
DATA ITEMS CITED :
5
MOLECULAR FORMULA :
C5-H6
MOLECULAR WEIGHT :
66.11
WISWESSER LINE NOTATION :
1UU1Y1&U1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
SCCUR* Shell Chemical Company. Unpublished Report. (2401 Crow Canyon Rd., San Romon, CA 94583) Volume(issue)/page/year: -,6,1961 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
639 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
SCCUR* Shell Chemical Company. Unpublished Report. (2401 Crow Canyon Rd., San Romon, CA 94583) Volume(issue)/page/year: -,6,1961
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
350 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
SCCUR* Shell Chemical Company. Unpublished Report. (2401 Crow Canyon Rd., San Romon, CA 94583) Volume(issue)/page/year: -,6,1961
TYPE OF TEST :
LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
12600 mg/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 :
LD - Lethal dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CBCCT* "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. (National Academy of Science Library, 2101 Constitution Ave., NW, Washington, DC 20418) Volume(issue)/page/year: 8,100,1956

Safety Information

[ Hazard Codes ]:
F+,Xn,F,Xi

[ Risk Phrases ]:
12-20/22-36/37/38-65

[ Safety Phrases ]:
16-26-36/37-62

[ RIDADR ]:
UN 3295 3/PG 1

[ WGK Germany ]:
3

[ RTECS ]:
EN0960000

[ Packaging Group ]:
I

Synthetic Route

Precursor & DownStream

Precursor

  • 3-Methyl butynol
  • 1,1-dichloroethylcyclopropane
  • 2-methyl-N,N-dipropylbuta-2,3-dien-1-amine
  • 2,5-dimethylhex-5-en-3-yn-2-ol
  • 3-Chloro-3-methyl-1-butyne
  • Ethanol
  • Cyclopropene, 1-bromo-3,3-dimethyl- (9CI)
  • Sodium ethoxide
  • Isobutylene
  • Acetylene

DownStream

  • 2-chloro-3-methylbuta-1,3-diene
  • 4-chloro-3-methylbuta-1,2-diene
  • 3-Chloro-3-methyl-1-butyne
  • 2-Methyl-4-trimethylsilyl-1-buten-3-yne
  • 3-Methylbut-1-ene
  • 2-Methylbut-2-ene
  • 2-Methylbut-2-ene

Related Compounds

  • 4-(4,4,6-Trimethyl-1,3,2-dioxaborinan-2-YL)-1-naphthol
  • 4-(4,4,6-Trimethyl-1,3,2-dioxaborinan-2-YL)-1H-pyrazole
  • 3-(naphthalen-1-ylmethyl)-1-(prop-2-ynyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
  • 5-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)benzo[c][1,2,5]thiadiazole
  • benzyl 4-iodo-1H-pyrrole-2-carboxylate
  • 2-Methyl-1-(oxan-4-yl)piperazine
  • 2-Bromo-3,5-dimethoxy-4-methyl-benzoic acid methyl ester
  • benzyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrole-2-carboxylate
  • 2-benzyl 1-tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrole-1,2-dicarboxylate
  • 3-Methoxy-2,4,6-trifluorobenzamide
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