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Substance Name: Butopyronoxyl [USP]
RN: 532-34-3
UNII: 4I5PG5VZ0V
InChIKey: OKIJSNGRQAOIGZ-UHFFFAOYSA-N

Note

  • Topical repellent against Phlebotomus perniciosus.

Molecular Formula

  • C12-H18-O4

Molecular Weight

  • 226.2702
 

Classification Codes

  • Agricultural Chemical
  • Insect Attractant, Repellent and Chemosterilant
  • Out-Dated Pesticide
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Names and Synonyms

Results Name

  • Butopyronoxyl [USP]

Name of Substance

  • Butopyronoxyl
  • Butopyronoxyl [USP]
  • Indalone

Synonyms

  • 2,2-Dimethyl-6-carbobutoxy-2,3-dihydro-4-pyrone
  • 2-Carbo-N-butoxy-6,6-dimethyl-5,6-dihydro-1,4-pyrone
  • 2H-Pyran-6-carboxylic acid, 3,4-dihydro-2,2-dimethyl-4-oxo-, butyl ester
  • 3,4-Dihydro-2,2-dimethyl-4-oxo-2H-pyran-6-carboxylic acid butyl ester
  • 3,4-Dihydro-2,2-dimethyl-4-oxo-2H-pyran-6-carboxylic acid, n-butyl ester
  • 4-18-00-05345 (Beilstein Handbook Reference)
  • 4-Pyrone-2-carboxylic acid, 5,6-dihydro-6,6-dimethyl-, butyl ester
  • AI3-00009
  • alpha,alpha-Dimethyl-alpha'-carbobutoxy-dihydro-gamma-pyrone
  • alpha,alpha-Dimethyl-alpha'-carboxydihydro-gamma-pyrone butyl ester
  • BMOO
  • BRN 0160461
  • Butopyronoxyl
  • Butyl 3,4-dihydro-2,2-dimethyl-4-oxo-1-2H-pyran-6-carboxylate
  • Butyl 3,4-dihydro-2,2-dimethyl-4-oxo-2H-pyran-6-carboxylate
  • Butyl 5,6-dihydro-6,6-dimethyl-4-oxo-4H-pyran-2-carboxylate
  • Butyl dihydro-6,6-dimethyl-4-oxopyran-2-carboxylate
  • Butyl dimethyl dihydro-pyrone carboxylate
  • Butyl mesityl oxide
  • Butyl mesityl oxide oxalate
  • Butyl-3,4-dihydro-2,2-dimethyl-4-oxo-2H-pyran-6-carboxylate
  • Butyldimethyldihydro-gamma-pyrone carboxylate
  • Butylmesityl oxide oxalate
  • Caswell No. 128
  • Dihydropyrone
  • EINECS 208-535-3
  • ENT 9
  • EPA Pesticide Chemical Code 046801
  • HSDB 1526
  • Indalone
  • n-Butyl ester of 3,4-dihydro-2,2-dimethyl-4-oxo-2H-pyran-6-carboxylic acid
  • n-Butyl mesityl oxide oxalate
  • n-Butyl-3,4-dihydro-2,2-dimethyl-4-oxo-1,2H-pyran-6-carboxylate
  • n-Butylmesityloxid oxalate
  • NSC 404420
  • UNII-4I5PG5VZ0V

Systematic Names

  • 2H-Pyran-6-carboxylic acid, 3,4-dihydro-2,2-dimethyl-4-oxo-, butyl ester
  • Butyl 3,4-dihydro-2,2-dimethyl-4-oxo-2H-pyran-6-carboxylate

Superlist Name

  • Butyl 3,4-dihydro-2,2-dimethyl-4-oxo-2H-pyran-6-carboxylate

Registry Numbers

CAS Registry Number

  • 532-34-3

FDA UNII

  • 4I5PG5VZ0V

Other Registry Numbers

  • 1341-44-2
  • 8039-36-9

System Generated Number

  • 0000532343

Structure Descriptors

InChI

1S/C12H18O4/c1-4-5-6-15-11(14)10-7-9(13)8-12(2,3)16-10/h7H,4-6,8H2,1-3H3

InChIKey

OKIJSNGRQAOIGZ-UHFFFAOYSA-N

Smiles

C=1(C(OCCCC)=O)OC(CC(C1)=O)(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
chicken LD50 oral 15mL/kg (15mL/kg) LIVER: CHANGE IN GALL BLADDER STRUCTURE OR FUNCTION Journal of Pharmacology and Experimental Therapeutics. Vol. 93, Pg. 26, 1948.
guinea pig LD50 oral 3200uL/kg (3.2mL/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 93, Pg. 26, 1948.
mouse LD50 oral 11600uL/kg (11.6mL/kg) LIVER: CHANGE IN GALL BLADDER STRUCTURE OR FUNCTION Journal of Pharmacology and Experimental Therapeutics. Vol. 93, Pg. 26, 1948.
rabbit LD50 oral 5400uL/kg (5.4mL/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 93, Pg. 26, 1948.
rabbit LD50 skin > 10mL/kg (10mL/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 93, Pg. 26, 1948.
rat LD50 oral 7400uL/kg (7.4mL/kg) LIVER: CHANGE IN GALL BLADDER STRUCTURE OR FUNCTION Journal of Pharmacology and Experimental Therapeutics. Vol. 93, Pg. 26, 1948.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point < 25 deg C   EXP
Boiling Point 263 deg C   EXP
log P (octanol-water) 2.420 (none)   EST
Water Solubility 275 mg/L 25 EST
Henry's Law Constant 4.68E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 4.36E-11 cm3/molecule-sec 25 EST

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