Benzyl butyl phthalate

C₁₉H₂₀O₄CAS 85-68-7312.36 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₉H₂₀O₄
Molar mass: 312.36 g/mol
Exact mass: 312.1362 Da
Density: 1.113–1.121 g/mL (at 25 °C)
Melting point: −35 °C
Boiling point: 370 °C
Flash point: 198.9 °C (closed cup)
Water solubility: 2.69 mg/L (25 °C)
logP: 4.00Crippen estimate
Polar surface area: 52.6 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 7

Hazards

Danger

H360Df May damage the unborn child; Suspected of damaging fertilityReproductive toxicity
H400 Very toxic to aquatic lifeHazardous to the aquatic environment, acute hazard
H410 Very toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard

Harmonised EU classification (CLP Annex VI), via PubChem.

Precautionary statements

P203, P273, P280, P318, P391, P405, P501

Identifiers

CAS number

85-68-7

SMILES

CCCCOC(=O)c1ccccc1C(=O)OCc1ccccc1

InChIKey

IRIAEXORFWYRCZ-UHFFFAOYSA-N

InChI

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

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

22 names · show all

1,2-Benzenedicarboxylic acid, 1-butyl 2-(phenylmethyl) ester
Phthalic acid, benzyl butyl ester
1,2-Benzenedicarboxylic acid, butyl phenylmethyl ester
Butyl benzyl phthalate
Palatinol BB
Santicizer 160
Sicol 160
Unimoll BB
Benzyl n-butyl phthalate
BBP
Santicizer C 160
Diacizer D 160
Ketjenflex 160
Santicizer S 160
S 160
n-Butyl benzyl phthalate diester
n-Butyl benzyl phthalate
Sant 160
NSC 71001
Spatozoate
Santicizer S 106
2-O-Benzyl 1-O-butyl benzene-1,2-dicarboxylate

Work with Benzyl butyl phthalate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Dibutyl phthalate84-74-279 % similar Dipentyl phthalate131-18-072 % similar Benzyl phthalate523-31-971 % similar Di-n-octyl phthalate117-84-070 % similar Diheptyl phthalate3648-21-370 % similar Dihexyl phthalate84-75-370 % similar Dinonyl 1,2-benzenedicarboxylate84-76-470 % similar Didecyl phthalate84-77-570 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Bisphenol A diacetate10192-62-8 Bis(4-glycidyloxyphenyl)methane2095-03-6 Neopentyl glycol dibenzoate4196-89-8

Elsewhere

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