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Substance Name: Amylmetacresol [INN:BAN]
RN: 1300-94-3
UNII: 05W904P57F
InChIKey: CKGWFZQGEQJZIL-UHFFFAOYSA-N

Note

  • Topical antiseptic for treatment of sore throat.

Molecular Formula

  • C12-H18-O

Molecular Weight

  • 178.273
 
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Names and Synonyms

Name of Substance

  • Amylmetacresol [INN:BAN]

Synonyms

  • 3-06-00-02005 (Beilstein Handbook Reference)
  • 5-Methyl-2-pentylphenol
  • 6-Amyl-m-cresol
  • 6-n-Amyl-m-cresol
  • 6-n-Pentyl-m-cresol
  • Amilmetacresol
  • Amilmetacresol [Spanish]
  • Amylmetacresol
  • Amylmetacresolum
  • Amylmetacresolum [Latin]
  • BRN 2440952
  • EINECS 215-094-0
  • UNII-05W904P57F

Systematic Names

  • 6-Pentyl-m-cresol
  • m-Cresol, 6-pentyl-
  • Phenol, 5-methyl-2-pentyl- (9CI)

Registry Numbers

CAS Registry Number

  • 1300-94-3

FDA UNII

  • 05W904P57F

Other Registry Number

  • 53043-14-4

System Generated Number

  • 0001300943

Structure Descriptors

InChI

1S/C12H18O/c1-3-4-5-6-11-8-7-10(2)9-12(11)13/h7-9,13H,3-6H2,1-2H3

InChIKey

CKGWFZQGEQJZIL-UHFFFAOYSA-N

Smiles

c1(c(cc(C)cc1)O)CCCCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 1500mg/kg (1500mg/kg)   Proceedings of the Society for Experimental Biology and Medicine. Vol. 32, Pg. 592, 1935.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 24 deg C   EXP
log P (octanol-water) 4.570 (none)   EST
Atmospheric OH Rate Constant 1.12E-10 cm3/molecule-sec 25 EST

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