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Substance Name: 2-Methyl-3-butyn-2-ol
RN: 115-19-5
UNII: EHB904XHKH
InChIKey: CEBKHWWANWSNTI-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C5-H8-O

Molecular Weight

  • 84.1172
 
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Names and Synonyms

Name of Substance

  • 2-Methyl-3-butyn-2-ol

Synonyms

  • 1,1-Dimethyl-2-propyn-1-ol carbamate
  • 1,1-Dimethyl-2-propynol
  • 1,1-Dimethylpropargyl alcohol
  • 1,1-Dimethylpropynol
  • 1-Butyn-3-ol, 3-methyl-
  • 2-Hydroxy-2-methyl-3-butyne
  • 2-Methyl-2-butynol
  • 2-Methyl-3-butyn-2-ol
  • 2-Methylbutyn-3-ol-2
  • 2-Propyn-1-ol, 1,1-dimethyl-, carbamate
  • 3-Methyl-1-butyn-3-ol
  • 3-Methyl-butin-(1)-ol-(3)
  • 3-Methyl-butin-(1)-ol-(3) [German]
  • 3-Methylbutynol
  • 4-01-00-02229 (Beilstein Handbook Reference)
  • AI3-23121
  • alpha,alpha-Dimethylpropargyl alcohol
  • BRN 0635746
  • Carbavane
  • Carbavane [Russian]
  • Dimethylacetylenecarbinol
  • Dimethylacetylenylcarbinol
  • Dimethylethynylcarbinol
  • Dimethylethynylmethanol
  • EC 204-070-5
  • EINECS 204-070-5
  • Ethynyldimethylcarbinol
  • NSC 523
  • UNII-EHB904XHKH

Systematic Names

  • 2-Methylbut-3-yn-2-ol
  • 3-Butyn-2-ol, 2-methyl-

Superlist Names

  • 2-Methyl-2-hydroxy-3-butyne
  • 3-Butyn-2-ol, 2-methyl-
  • 3-Methyl-butyn-3-ol

Registry Numbers

CAS Registry Number

  • 115-19-5

FDA UNII

  • EHB904XHKH

Other Registry Numbers

  • 140705-79-9
  • 67539-62-2
  • 946073-41-2

System Generated Number

  • 0000115195

Structure Descriptors

InChI

1S/C5H8O/c1-4-5(2,3)6/h1,6H,2-3H3

InChIKey

CEBKHWWANWSNTI-UHFFFAOYSA-N

Smiles

C(C#C)(C)(C)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LC50 inhalation 2gm/m3 (2000mg/m3) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

BEHAVIORAL: ATAXIA
Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 31(4), Pg. 55, 1987.
mouse LD50 oral 500mg/kg (500mg/kg) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

BEHAVIORAL: ATAXIA

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 31(4), Pg. 55, 1987.
mouse LD50 subcutaneous 1161mg/kg (1161mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Yakugaku Zasshi. Journal of Pharmacy. Vol. 76, Pg. 181, 1956.
rat LD50 oral 1950mg/kg (1950mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 115, Pg. 230, 1955.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 3 deg C   EXP
Boiling Point 104 deg C   EXP
log P (octanol-water) 0.28 (none)   EXP
Water Solubility 1.00E+06 mg/L 25 EXP
Vapor Pressure 16 mm Hg 25 EXP
Henry's Law Constant 3.91E-06 atm-m3/mole 25 EXP
Atmospheric OH Rate Constant 8.17E-12 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.