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Substance Name: Tropic acid
RN: 552-63-6
UNII: 9RM4U80765
InChIKey: JACRWUWPXAESPB-UHFFFAOYSA-N

Note

  • Acid moiety of ester alkaloids hyoscyamine & scopolamine.

Molecular Formula

  • C9-H10-O3

Molecular Weight

  • 166.175
 
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Names and Synonyms

Name of Substance

  • Tropic acid

Synonyms

  • 2-Phenylhydracrylic acid
  • alpha-Toluic acid, alpha-(hydroxymethyl)-
  • EINECS 208-465-3
  • EINECS 209-020-6
  • Hydracrylic acid, 2-phenyl-
  • Hydratropic acid, beta-hydroxy-
  • NSC 20990
  • Tropic acid
  • UNII-9RM4U80765

Systematic Names

  • (1)-(Hydroxymethyl)phenylacetic acid
  • alpha-(Hydroxymethyl)benzeneacetic acid
  • Benzeneacetic acid, alpha-(hydroxymethyl)-
  • Tropic acid

Registry Numbers

CAS Registry Number

  • 552-63-6

FDA UNII

  • 9RM4U80765

Other Registry Numbers

  • 28845-94-5
  • 529-64-6

System Generated Number

  • 0000552636

Structure Descriptors

InChI

InChI=1S/C9H10O3/c10-6-8(9(11)12)7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12)

InChIKey

JACRWUWPXAESPB-UHFFFAOYSA-N

Smiles

OCC(C(=O)O)c1ccccc1

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 118 deg C   EXP
log P (octanol-water) 0.380 (none)   EST
Water Solubility 2.00E+04 mg/L 25 EXP
Atmospheric OH Rate Constant 1.11E-11 cm3/molecule-sec 25 EST

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