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Substance Name: Butyl glycolyl butyl phthalate
RN: 85-70-1
UNII: I5LOD5H050
InChIKey: GOJCZVPJCKEBQV-UHFFFAOYSA-N

Classification Codes

  • Mutation Data
  • Reproductive Effect
  • Skin / Eye Irritant

Molecular Formula

  • C18-H24-O6

Molecular Weight

  • 336.3816
 
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Names and Synonyms

Name of Substance

  • 1,2-Benzenedicarboxylic acid, 2-butoxy-2-oxoethyl, butyl ester
  • Butyl glycolyl butyl phthalate
  • Butyl phthalyl butyl glycolate

Synonyms

  • 1,2-Benzenedicarboxylic acid, 2-butoxy-2-oxoethyl butyl ester
  • 2-Butoxy-2-oxoethyl butyl phthalate
  • 4-09-00-03256 (Beilstein Handbook Reference)
  • AI3-01793
  • AI3-01793 (USDA)
  • BRN 2007363
  • Butoxycarbonylmethyl butyl phthalate
  • Butyl carbobutoxymethyl phthalate
  • Butyl glycolyl butyl phthalate
  • Butyl phthalate butyl glycolate
  • Butyl phthalyl butyl glycolate
  • Butylcarbobutoxymethyl phthalate
  • Caswell No. 131B
  • Dibutyl O-(o-carboxybenzoyl) glycolate
  • Dibutyl O-(o-carboxybenzoyl)glycolate
  • Dibutyl o-carboxybenzoyloxyacetate
  • EINECS 201-624-8
  • Glycolic acid, butyl ester, butyl phthalate
  • Glycolic acid, phthalate, dibutyl ester
  • HSDB 284
  • Phthalic acid, butoxycarbonylmethyl butyl ester
  • Phthalic acid, butyl ester, butyl glycolate
  • Phthalic acid, butyl ester, ester with butyl glycolate
  • Reomol 4pg
  • Santicizer B-16
  • UNII-I5LOD5H050

Systematic Names

  • 1,2-Benzenedicarboxylic acid, 1-(2-butoxy-2-oxoethyl) 2-butyl ester
  • 1,2-Benzenedicarboxylic acid, 2-butoxy-2-oxoethyl butyl ester
  • Butoxycarbonylmethyl butyl phthalate
  • Phthalic acid, butyl ester, ester with butyl glycolate

Registry Numbers

CAS Registry Number

  • 85-70-1

FDA UNII

  • I5LOD5H050

System Generated Number

  • 0000085701

Structure Descriptors

InChI

1S/C18H24O6/c1-3-5-11-22-16(19)13-24-18(21)15-10-8-7-9-14(15)17(20)23-12-6-4-2/h7-10H,3-6,11-13H2,1-2H3

InChIKey

GOJCZVPJCKEBQV-UHFFFAOYSA-N

Smiles

CCCCOC(=O)COC(=O)c1ccccc1C(=O)OCCCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 6880mg/kg (6880mg/kg)   Journal of the Society of Cosmetic Chemists. Vol. 28, Pg. 667, 1977.
mouse LD50 oral 12567mg/kg (12567mg/kg)   International Polymer Science and Technology. Vol. 3, Pg. 93, 1976.
rat LD50 intraperitoneal 6889uL/kg (6.889mL/kg)   Journal of Pharmaceutical Sciences. Vol. 61, Pg. 51, 1972.
rat LD50 oral 7gm/kg (7000mg/kg)   EHP, Environmental Health Perspectives. Vol. 3, Pg. 131, 1973.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point < 25 deg C   EXP
log P (octanol-water) 4.150 (none)   EST
Water Solubility 8.800 mg/L 25 EST
Vapor Pressure 7.07E-06 mm Hg 25 EST
Henry's Law Constant 2.06E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 9.74E-12 cm3/molecule-sec 25 EST

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