dibutyl benzene-1,4-dicarboxylate

CAS No. 1962-75-0

Formula: C16H22O4
Basic Info

Formula
C16H22O4
Molecular Weight
278.343
Exact Mass
278.152
LogP
3.6004
PSA
52.6
Synonyms

EINECS 217-803-9

Terephthalsaeure-dibutylester

terephthalic acid di-n-butyl ester

Di-n-butyl phthalate

Dibutyl terephthalate

1,4-Benzenedicarboxylic acid,dibutyl ester

Di-n-butylterephthalate

Terephthalic acid,dibutyl ester

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Properties
Density
1.053g/cm3
Boiling Point
341.8ºC at 760mmHg
Flash Point
180.2ºC
Refractive Index
1.499
Vapor Pressure
7.84E-05mmHg at 25°C
Safety Info
HS Code
2917399090
Spectrum
NMR Spectrum 1H NMR : Predict
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Analysis Methods
Kovats' RI, non-polar column, isothermal
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Column Shape
Capillary
Active Phase(℃)
OV-101
Retention index
2058.
Temperature Control
230.
Method
isothermal
Comments
50. m/0.3 mm/0.35 μm, N2
Reference
Friocourt, M.P.Berthou, F.Picart, D.Dreano, Y.Floch, H.H.Glass Capillary Column Gas Chromatography of Phthalate EstersJ. Chromatogr.1979, 172, 1, 261-271.
Kovats' RI, non-polar column, isothermal
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Column Shape
Capillary
Active Phase(℃)
SE-30
Retention index
2060.
Temperature Control
251.
Method
isothermal
Comments
50. m/0.3 mm/0.39 μm, He
Reference
Friocourt, M.P.Berthou, F.Picart, D.Dreano, Y.Floch, H.H.Glass Capillary Column Gas Chromatography of Phthalate EstersJ. Chromatogr.1979, 172, 1, 261-271.
Kovats' RI, non-polar column, custom temperature program
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Column Shape
Packed
Active Phase(℃)
SE-30
Retention index
2066.
Temperature Control
Method
custom temperature program
Comments
He, Chromosorb G HP (80-100 mesh); Column length: 1.5 m; Program: not specified
Reference
Ramsey, J.D.Lee, T.D.Osselton, M.D.Moffat, A.C.Gas-liquid chromatographic retention indices of 296 non-drug substances on SE-30 or OV-1 likely to be encountered in toxicological analysesJ. Chromatogr.1980, 184, 2, 185-206.
Normal alkane RI, non-polar column, custom temperature program
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Column Shape
Capillary
Active Phase(℃)
OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc.
Retention index
2058.
Temperature Control
Method
custom temperature program
Comments
Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified
Reference
Waggott, A.Davies, I.W.Identification of organic pollutants using linear temperature programmed retention indices (LTPRIs) - Part II1984, retrieved from http://dwi.defra.gov.uk/research/completed-research/reports/dwi0383.pdf.
Normal alkane RI, non-polar column, custom temperature program
expand collapse
Column Shape
Capillary
Active Phase(℃)
OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc.
Retention index
2060.
Temperature Control
Method
custom temperature program
Comments
Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified
Reference
Waggott, A.Davies, I.W.Identification of organic pollutants using linear temperature programmed retention indices (LTPRIs) - Part II1984, retrieved from http://dwi.defra.gov.uk/research/completed-research/reports/dwi0383.pdf.
Downstream Product
Toxicity
ACUTE TOXICITY DATA
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Type of Test
LDLo - Lowest published lethal dose
Exposure Route
Intraperitoneal
Species Observed
Rodent - mouse
Dose/Duration
1392 mg/kg
Toxic Effects
Sense Organs and Special Senses (Eye)--ptosis<br>Behavioral--somnolence (general depressed activity)
Reference
Journal of Pharmaceutical Sciences. (American Pharmaceutical Assoc., 2215 Constitution Ave., NW, Washington, DC 20037) V.50- 1961- Volume(issue)/page/year: 56,1446,1967
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