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Substance Name: Butyl benzyl phthalate
RN: 85-68-7
UNII: YPC4PJX59M
InChIKey: IRIAEXORFWYRCZ-UHFFFAOYSA-N

Molecular Formula

  • C19-H20-O4

Molecular Weight

  • 312.363
 

Classification Codes

Classification Codes

  • Mutation Data
  • Noxae
  • Reproductive Effect
  • Teratogens
  • Tumor Data

Superlist Classification Codes

  • 2007 CERCLA Priority List, Rank: 195
  • 2011 CERCLA Priority List, Rank: 191
  • Overall Carcinogenic Evaluation: Group 3
  • Reportable Quantity (RQ) = 100 lb

Names and Synonyms

Name of Substance

  • 1,2-Benzenedicarboxylic acid, butyl phenylmethyl ester
  • Butyl benzyl phthalate
  • Butylbenzyl phthalate

Synonyms

  • 1,2-Benzenedicarboxylic acid, butyl phenylmethyl ester
  • 4-09-00-03218 (Beilstein Handbook Reference)
  • AI3-14777
  • BBP
  • Benzyl butyl phthalate
  • Benzyl butylphthalate
  • Benzyl n-butyl phthalate
  • Benzyl-butylester kyseliny ftalove
  • Benzyl-butylester kyseliny ftalove [Czech]
  • BRN 2062204
  • Butyl benzyl phthalate
  • Butyl phenylmethyl 1,2-benzenedicarboxylate
  • Caswell No. 125G
  • CCRIS 104
  • EC 201-622-7
  • EINECS 201-622-7
  • HSDB 2107
  • n-Butyl benzyl phthalate
  • NCI-C54375
  • NSC 71001
  • Palatinol BB
  • Phthalic acid, benzyl butyl ester
  • Santicizer 160
  • Sicol
  • Sicol 160
  • UNII-YPC4PJX59M
  • Unimoll BB

Systematic Names

  • 1,2-Benzenedicarboxylic acid, 1-butyl 2-(phenylmethyl) ester
  • 1,2-Benzenedicarboxylic acid, butyl phenylmethyl ester
  • Benzyl butyl phthalate
  • Butyl benzyl phthalate
  • Phthalic acid, benzyl butyl ester

Superlist Names

  • 1,2-Benzenedicarboxylic acid, butyl phenylmethyl ester
  • Butyl benzyl phthalate
  • Phthalic acid, benzyl butyl ester

Registry Numbers

CAS Registry Number

  • 85-68-7

FDA UNII

  • YPC4PJX59M

Other Registry Number

  • 58128-78-2

System Generated Number

  • 0000085687

Structure Descriptors

InChI

1S/C19H20O4/c1-2-3-13-22-18(20)16-11-7-8-12-17(16)19(21)23-14-15-9-5-4-6-10-15/h4-12H,2-3,13-14H2,1H3

InChIKey

IRIAEXORFWYRCZ-UHFFFAOYSA-N

Smiles

CCCCOC(=O)c1ccccc1C(=O)OCc2ccccc2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 oral 13750mg/kg (13750mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 24(3), Pg. 25, 1980.
guinea pig LD50 oral 13750mg/kg (13750mg/kg) BEHAVIORAL: WITHDRAWAL

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 24(3), Pg. 25, 1980.
mouse LD50 intraperitoneal 3160mg/kg (3160mg/kg)   EHP, Environmental Health Perspectives. Vol. 4, Pg. 3, 1973.
mouse LD50 oral 4170mg/kg (4170mg/kg)   IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. Vol. 29, Pg. 193, 1982.
mouse LD50 skin 6700mg/kg (6700mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 39(6), Pg. 25, 1974.
mouse LD50 unreported 13700ug/kg (13.7mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 32(7), Pg. 52, 1988.
rabbit LD50 skin > 10gm/kg (10000mg/kg)   Toxicology and Industrial Health. Vol. 3, Pg. 79, 1987.
rat LD50 oral 2330mg/kg (2330mg/kg)   IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. Vol. 29, Pg. 193, 1982.
rat LD50 skin 6700mg/kg (6700mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 39(6), Pg. 25, 1974.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point < 25 deg C   EXP
Boiling Point 370 deg C   EXP
log P (octanol-water) 4.73 (none)   EXP
Water Solubility 2.69 mg/L 25 EXP
Vapor Pressure 8.25E-06 mm Hg 25 EXP
Henry's Law Constant 1.26E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.10E-11 cm3/molecule-sec 25 EST

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