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1-Adamantaneacetic acid

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1-Adamantaneacetic acid Basic information

Product Name:
1-Adamantaneacetic acid
Synonyms:
  • a-(1-Adamantyl)acetic acid
  • Adamantane-1-acetic acid
  • 2-(adaMantan-1-yl)acetic acid
  • 1-AdaMantaneacetic acid, 98% 10GR
  • 1-adamantylacetic acid(SALTDATA: FREE)
  • (Adamant-1-yl)acetic acid
  • 1-AdaMantaneacetic acid, 98.5%
  • 1-adaMantineacetic acid
CAS:
4942-47-6
MF:
C12H18O2
MW:
194.27
EINECS:
225-585-1
Product Categories:
  • Adamantanes
  • cyclic compounds
  • Adamantane derivatives
Mol File:
4942-47-6.mol
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1-Adamantaneacetic acid Chemical Properties

Melting point:
134-137 °C (lit.)
Boiling point:
270.73°C (rough estimate)
Density 
1.0086 (rough estimate)
refractive index 
1.4949 (estimate)
storage temp. 
Sealed in dry,Room Temperature
solubility 
Solubility in Methanol - almost transparency
form 
Crystalline Powder or Crystals
pka
5.00±0.10(Predicted)
color 
White to off-white
BRN 
641412
InChIKey
AOTQGWFNFTVXNQ-UHFFFAOYSA-N
CAS DataBase Reference
4942-47-6(CAS DataBase Reference)
NIST Chemistry Reference
1-Adamantaneacetic acid(4942-47-6)
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Safety Information

Hazard Codes 
Xi,Xn,F
Risk Statements 
36/37/38-15-10
Safety Statements 
22-24/25-43-7/8
WGK Germany 
3
TSCA 
Yes
HazardClass 
IRRITANT
HS Code 
29162090

MSDS

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1-Adamantaneacetic acid Usage And Synthesis

Chemical Properties

white to off-white crystalline powder or crystals

Uses

1-Adamantaneacetic acid was used as an acylating agent in determining pharmacological characteristics of ten new analogues of bradykinin (Arg-Pro-Pro-Gly-Phe-Ser-Pro-Phe-Arg) that were modified in the N-terminal part of the molecule.

Biochem/physiol Actions

1-Adamantaneacetic acid is an inhibitor of chorismate mutase-prephenate dehydrogenase (EC 1.3.1.12) from Escherichia coli K12 (strain JP 232).

Purification Methods

Dissolve the acid in hot NaOH, treat with charcoal, filter and acidify. Collect the solid, wash it with H2O, dry and recrystallise it from MeOH. [Stetter et al. Chem Ber 92 1629 1959.] The acid chloride [2094-72-6] has M 168.7, m 51-54o, and b 135-136o/1mm. LACHRYMATORY.

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