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Substance Name: alpha-Naphthaleneacetic acid, ethyl ester
RN: 2122-70-5
UNII: 4OV7F7186V
InChIKey: XIDPSKQLXKCVQN-UHFFFAOYSA-N

Classification Codes

  • Agricultural Chemical
  • Growth Regulator / Fertilizer

Molecular Formula

  • C14-H14-O2

Molecular Weight

  • 214.263
 
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Names and Synonyms

Name of Substance

  • alpha-Naphthaleneacetic acid, ethyl ester

Synonyms

  • 1-Naphthaleneacetic acid, ethyl ester
  • 2-(1-Naphthyl)acetic acid ethyl ester
  • 4-09-00-02425 (Beilstein Handbook Reference)
  • AI3-02254
  • BRN 1106730
  • Caswell No. 589AA
  • EINECS 218-332-1
  • EPA Pesticide Chemical Code 056008
  • Ethyl 1-naphthaleneacetate
  • Ethyl 1-naphthylacetate
  • Ethyl naphthaleneacetate
  • NSC 74497
  • UNII-4OV7F7186V

Systematic Names

  • 1-Naphthaleneacetic acid, ethyl ester
  • 1-Naphththaleneacetic acid, ethyl ester
  • Ethyl 1-naphthylacetate

Superlist Name

  • Ethyl 1-naphthaleneacetate

Registry Numbers

CAS Registry Number

  • 2122-70-5

FDA UNII

  • 4OV7F7186V

System Generated Number

  • 0002122705

Structure Descriptors

InChI

1S/C14H14O2/c1-2-16-14(15)10-12-8-5-7-11-6-3-4-9-13(11)12/h3-9H,2,10H2,1H3

InChIKey

XIDPSKQLXKCVQN-UHFFFAOYSA-N

Smiles

c1c(c2ccccc2cc1)CC(=O)OCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin > 5gm/kg (5000mg/kg)   "Agrochemicals Handbook," with updates, Hartley, D., and H. Kidd, eds., Nottingham, Royal Soc of Chemistry, 1983-86Vol. A291, Pg. 1985,
rat LD50 oral 3580mg/kg (3580mg/kg)   Pesticide & Toxic Chemical News. Vol. 9, Pg. 10, 1980.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 88.5 deg C   EXP
log P (octanol-water) 3.750 (none)   EST
Atmospheric OH Rate Constant 3.78E-11 cm3/molecule-sec 25 EST

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