Compound: Benzyl butyl phthalate
SMILES: O=C(OCc1ccccc1)c2c(C(=O)OCCCC)cccc2
InChIKey: IRIAEXORFWYRCZ-UHFFFAOYSA-N
Synonyms: Benzyl butyl phthalate, BUTYL BENZYL PHTHALATE, 85-68-7, Sicol, Palatinol BB, Unimoll BB, Santicizer 160, Butylbenzyl phthalate, n-Butyl benzyl phthalate, Sicol 160, Benzyl n-butyl phthalate, 1,2-Benzenedicarboxylic acid, butyl phenylmethyl ester, Phthalic acid, benzyl butyl ester, Benzyl butylphthalate, NCI-C54375, DTXSID3020205, Ketjenflex 160, 2-O-benzyl 1-O-butyl benzene-1,2-dicarboxylate, Diacizer D 160, Butyl phenylmethyl 1,2-benzenedicarboxylate, YPC4PJX59M, O2-benzyl O1-butyl benzene-1,2-dicarboxylate, NSC-71001, DTXCID70205, BBPHT, 1-benzyl 2-butyl benzene-1,2-dicarboxylate, RefChem:118859, S 160, 201-622-7, Butylbenzylphthalate, BBP, NSC 71001, MFCD00009440, Benzyl-butylester kyseliny ftalove, Benzyl Butyl Benzene-1,2-Dicarboxylate, Phthalic acid, benzylbutyl ester, NCGC00090780-04, 1,2-Benzenedicarboxylic acid, 1-butyl 2-(phenylmethyl) ester, benzylbutylphthalate, Caswell No. 125G, Spatozoate, Phthalic Acid Benzyl Butyl Ester, phenylmethyl 2-(butoxycarbonyl)benzoate, CAS-85-68-7, CCRIS 104, Benzyl butyl phthalate, analytical standard, Santicizer S 160, HSDB 2107, EINECS 201-622-7, UNII-YPC4PJX59M, BRN 2062204, Benzyl-butylester kyseliny ftalove [Czech], AI3-14777, Spectrum_001977, 4mg6, benzyl-n-butyl phthalate, SpecPlus_000622, Spectrum2_001805, Spectrum3_000871, Spectrum4_000711, Spectrum5_002070, WLN: QVR BVO1R, EC 201-622-7, 1, butyl phenylmethyl ester, SCHEMBL49678, BSPBio_002541, KBioGR_001261, KBioSS_002543, MLS002177799, Benzyl butyl phthalate, 98%, BIDD:ER0643, DivK1c_006718, SPBio_001789, 1-Benzyl 2-butyl phthalate #, orb1310424, orb3025866, CHEMBL1450327, SCHEMBL29507350, SCHEMBL29507351, CHEBI:34595, KBio1_001662, KBio2_002534, KBio2_005102, KBio2_007670, KBio3_002041, MSK1111, Benzyl butyl phthalate (Standard), HMS3039O09, HY-W011338R, NSC71001, Phthalic acid, benzylbutyl ester 1000 microg/mL in Cyclohexane, TDA95188, Tox21_202991, Tox21_400057, CCG-39615, s5822, SBB061464, BUTYL BENZYL PHTHALATE [HSDB], BUTYL BENZYL PHTHALATE [IARC], AKOS015839717, phthalic acid benzyl ester butyl ester, CS-W012054, HY-W011338, NCGC00090780-01, NCGC00090780-02, NCGC00090780-03, NCGC00090780-05, NCGC00260536-01, DA-71400, MSK1111-1000, SMR001261796, SY049420, NS00009734, P0288, ST50319877, T0640, Q414809, Benzyl butyl phthalate Solution in Hexane, 1000?g/mL, BRD-K34359596-001-02-1, Benzyl butyl phthalate, certified reference material, TraceCERT(R), 27G
Theoretical properties:
molecular_formula: C19H20O4
molecular_weight: 312.4 g/mol
exact_mass: 312.13615911 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 4
rotatable_bond_count: 9
heavy_atom_count: 23
topological_polar_surface_area: 52.6 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Clear, oil liquid
color: Clear, oil liquid
odor: Slight odor
boiling_point: 698 °F at 760 mmHg (NTP, 1992)
melting_point: less than -31 °F (NTP, 1992)
density: 1.12 at 68 °F (USCG, 1999) - Denser than water; will sink
solubility: less than 0.1 mg/mL at 72.5 °F (NTP, 1992)
flash_point: 390 °F (NTP, 1992)
vapor_pressure: 8.6e-06 mmHg at 68 °F ; 1.9 mmHg at 392 °F (NTP, 1992)
Descriptions:
pubchem: Butyl Benzyl Phthalate can cause developmental toxicity according to The National Toxicology Program's Center for the Evaluation of Risks to Human Reproduction.
chembl: Unnamed Compound is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Benzyl butyl phthalate (BBP) is an organic compound historically used as a plasticizer, which has now been largely phased out due to health concerns. It is a phthalate ester of containing benzyl alcohol, and n-butanol tail groups. Like most phthalates, BBP is non-volatile and remains liquid over a wide range of temperatures. It was mostly used as a plasticizer for PVC, but was also a common plasticizer for PVCA and PVB.
BBP was commonly used as a plasticizer for vinyl foams, which are often used as sheet vinyl flooring and tiles. Compared to other phthalates it was less volatile than dibutyl phthalate and imparted better low temperature flexibility than di(2-ethylhexyl) phthalate.
BBP is classified as toxic by the European Chemical Bureau (ECB) and hence its use in Europe has declined rapidly.