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Substance Name: Methylpentynol [INN:BAN]
RN: 77-75-8
UNII: B017BC5B1N
InChIKey: QXLPXWSKPNOQLE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C6-H10-O

Molecular Weight

  • 98.144
 
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Names and Synonyms

Results Name

  • Methylpentynol [INN:BAN]

Name of Substance

  • Meparfynol
  • Methylpentynol
  • Methylpentynol [INN:BAN]

Synonyms

  • (+-)-3-Methylpent-1-yn-3-ol
  • 2-Butanol, 2-ethynyl-
  • 2-Ethinylbutanol-2
  • 2-Ethynyl-2-butanol
  • 3-Methyl-1-pentyn-2-ol
  • 3-Methyl-1-pentyn-3-ol
  • 3-Methyl-pentin-(1)-ol-(3)
  • 3-Methyl-pentin-(1)-ol-(3) [German]
  • 3-Methylpent-1-yn-3-ol
  • 3-Methylpentin-3-ol
  • 3-Methylpentyn-3-ol
  • 3-Metil-pentin-3-ol
  • 3-Metil-pentin-3-ol [Italian]
  • 4-01-00-02242 (Beilstein Handbook Reference)
  • AI3-14502
  • AI3-37931
  • Allotropal
  • alpha-Ethyl-alpha-methylpropargyl alcohol
  • Aniphor
  • Anti-stress
  • Apridol
  • Atemorin
  • Atempol
  • BRN 0969340
  • Citodorm
  • Comesa
  • Dalgol
  • Dormalest
  • Dormidin
  • Dormigen
  • Dormiphen
  • Dormison
  • Dormocit
  • Dormosan
  • EC 201-055-5
  • EINECS 201-055-5
  • Ethinylmethylethylcarbinol
  • Ethyl ethynyl methyl carbinol
  • Formison
  • Hexofen
  • Imnudorm
  • Insomnol
  • Macarol
  • Mecarol
  • Melpintol
  • Meparfynol
  • Mepentil
  • Methylethylacetylenylcarbinol
  • Methylethylethynylcarbinol
  • Methylparafynol
  • Methylpentinol
  • Methylpentynol
  • Methylpentynolum
  • Methylpentynolum [INN-Latin]
  • Metilparafinolo
  • Metilpentinol
  • Metilpentinol [INN-Spanish]
  • Metilpentinolo
  • Metilpentinolo [DCIT]
  • Miramel
  • N-Oblivon
  • Noxokratin
  • NSC 28797
  • Oblevil
  • Oblivon
  • Olfine P
  • Olosot
  • Olvadon
  • Pentadorm
  • Pentinol
  • Pentyrest
  • Perlopal
  • Riposon
  • Sedapercut
  • Seral
  • Sintyal
  • Somnesin
  • Sonnormon
  • UNII-B017BC5B1N

Systematic Names

  • 1-Pentyn-3-ol, 3-methyl-
  • 3-Methyl-1-pentyn-3-ol
  • Methylpentynol

Registry Numbers

CAS Registry Number

  • 77-75-8

FDA UNII

  • B017BC5B1N

Other Registry Numbers

  • 104758-85-2
  • 25663-45-0

System Generated Number

  • 0000077758

Structure Descriptors

InChI

1S/C6H10O/c1-4-6(3,7)5-2/h1,7H,5H2,2-3H3

InChIKey

QXLPXWSKPNOQLE-UHFFFAOYSA-N

Smiles

C(#C)[C@@](CC)(O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 525mg/kg (525mg/kg)   Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 218, Pg. 427, 1953.
mouse LD50 oral 525mg/kg (525mg/kg)   Psychopharmacology Service Center, Bulletin. Vol. 2, Pg. 17, 1963.
mouse LD50 subcutaneous 284mg/kg (284mg/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 intraperitoneal 537mg/kg (537mg/kg)   British Journal of Pharmacology and Chemotherapy. Vol. 11, Pg. 20, 1956.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 30.5 deg C   EXP
Boiling Point 120.5 deg C   EXP
log P (octanol-water) 0.940 (none)   EST
Water Solubility 9.90E+04 mg/L 20 EXP
Vapor Pressure 5.25 mm Hg 20 EXP
Henry's Law Constant 6.85E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.14E-11 cm3/molecule-sec 25 EST

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