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Substance Name: 1,3,5-Trimethoxybenzene
RN: 621-23-8
UNII: 00VJI3VG3D
InChIKey: LKUDPHPHKOZXCD-UHFFFAOYSA-N

Classification Codes

  • Autonomic Agents
  • Parasympatholytics
  • Peripheral Nervous System Agents

Molecular Formula

  • C9-H12-O3

Molecular Weight

  • 168.191
 
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Names and Synonyms

Name of Substance

  • 1,3,5-Trimethoxybenzene

Synonyms

  • 1,3,5-Trimethoxybenzene
  • 1,3,5-Trimethyoxybenzene
  • 4-06-00-07362 (Beilstein Handbook Reference)
  • BRN 1307993
  • EINECS 210-673-4
  • NSC 90060
  • Phloroglucinol trimethyl ether
  • sym-Trimethoxybenzene
  • UNII-00VJI3VG3D

Systematic Names

  • Benzene, 1,3,5-trimethoxy-
  • O,O,O-1,3,5-Trimethylresorcinol

Registry Numbers

CAS Registry Number

  • 621-23-8

FDA UNII

  • 00VJI3VG3D

System Generated Number

  • 0000621238

Structure Descriptors

InChI

1S/C9H12O3/c1-10-7-4-8(11-2)6-9(5-7)12-3/h4-6H,1-3H3

InChIKey

LKUDPHPHKOZXCD-UHFFFAOYSA-N

Smiles

O(c1cc(OC)cc(OC)c1)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 580mg/kg (580mg/kg)   Oyo Yakuri. Pharmacometrics. Vol. 3, Pg. 187, 1969.
mouse LD50 oral 1480mg/kg (1480mg/kg)   Oyo Yakuri. Pharmacometrics. Vol. 3, Pg. 187, 1969.
mouse LD50 subcutaneous 2800mg/kg (2800mg/kg)   Oyo Yakuri. Pharmacometrics. Vol. 3, Pg. 187, 1969.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 54.5 deg C   EXP
Boiling Point 255.5 deg C   EXP
log P (octanol-water) 2.240 (none)   EST
Atmospheric OH Rate Constant 2.02E-10 cm3/molecule-sec 25 EST

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