Results for:
PubChem ID: 3026

Dibutyl Benzene-1,2-dicarboxylate

Mass-Spectra

Compound Details

Synonymous names
dibutyl phthalate
84-74-2
Di-n-butyl phthalate
n-Butyl phthalate
Butyl phthalate
Genoplast B
Palatinol C
Celluflex DPB
DIBUTYLPHTHALATE
Unimoll DB
Staflex DBP
Elaol
Ergoplast FDB
Witcizer 300
Kodaflex DBP
Dibutyl 1,2-benzenedicarboxylate
Hexaplas M/B
Dibutyl-o-phthalate
Phthalic acid dibutyl ester
dibutyl benzene-1,2-dicarboxylate
1,2-Benzenedicarboxylic acid, dibutyl ester
DBP (ester)
dibutyl-phthalate
N-Butylphthalate
Ersoplast FDA
Uniflex DBP
Hatcol DBP
Phthalate, di-n-butyl
Dibutyl o-phthalate
RC Plasticizer DBP
Phthalic acid, dibutyl ester
Benzene-o-dicarboxylic acid di-n-butyl ester
o-Benzenedicarboxylic acid, dibutyl ester
Phthalate, dibutyl-
RCRA waste number U069
nutyl phthalate
Caswell No. 292
Monocizer dbp
Plasthall dbp
Vestinol c
Hatco dbp
Phthalate, Butyl
PX 104
Phthalic acid di-n-butyl ester
Phthalate, Dibutyl
Ruifeng vp 201
Corflex 440
NSC 6370
Di n Butyl Phthalate
ortho-Dibutyl phthalate
Yh-1bd2
CCRIS 2676
HSDB 922
Di-n-butylorthophthalate
Di-n-butylester kyseliny ftalove
DTXSID2021781
CHEBI:34687
Dibutyl-1,2-benzenedicarboxylate
Dibutylphthatlate
Palatinol DBP
NSC-6370
EINECS 201-557-4
di-n-butyl phthalate (DBuP)
EPA Pesticide Chemical Code 028001
UNII-2286E5R2KE
BRN 1914064
Morflex 240
o-Benzenedicarboxylic acid dibutyl ester
Uniplex 150
1,2-Benzenedicarboxylic acid dibutyl ester
Vp-201
2286E5R2KE
AI-3-00283
Benzenedicarboxylic acid dibutyl ester
CHEMBL272485
DTXCID301781
Benzene-o-dicarboxylic acid, di-n-butyl ester
NSC6370
EC 201-557-4
1,2-Benzenedicarboxylic acid, 1,2-dibutyl ester
MFCD00009441
1,2-dibutyl benzene-1,2-dicarboxylate
Dibutyl ester of 1,2-benzenedicarboxylic acid
DIBUTYL PHTHALATE (II)
DIBUTYL PHTHALATE [II]
DIBUTYL PHTHALATE (MART.)
DIBUTYL PHTHALATE [MART.]
DIBUTYL PHTHALATE (USP-RS)
DIBUTYL PHTHALATE [USP-RS]
dibutyl phthalate (DBP)
CAS-84-74-2
DIBUTYL PHTHALATE (EP MONOGRAPH)
DIBUTYL PHTHALATE [EP MONOGRAPH]
RAPIDCELLtrade markP
Dibutyl phthalate [NF]
SR-05000001549
RCRA waste no. U069
Di-n-butylester kyseliny ftalove [Czech]
Bufa
Phthalic acid, bis-butyl ester
Ergoplast FOB
Synolate MD
Bisoflex DBP
Induflex DBP
Mollan B
Dibutyll phthalate
Ersoplast FDA.
Dibutyl 1,2-benzene-dicarboxylate
Hatcp DBP
phthalsauredibutylester
Benzenedicarboxylic acid, dibutyl ester
Ftalato di n-butanolo
Bis-N-butyl phthalate
Sicol 140
Spectrum_001975
Di(1-butyl) phthalate
Phthalsaeure dibutylester
SpecPlus_000628
Dibutyl phthalate, 99%
Spectrum3_000874
Spectrum4_000714
Spectrum5_002068
WITICIZER 300
Epitope ID:138714
WLN: 4OVR BVO2
Dibutyl phthalate, >=99%
SCHEMBL24051
BSPBio_002547
KBioGR_001267
KBioSS_002541
R!C. PLASTICIZER DBP
SPECTRUM330086
MLS002177802
BIDD:ER0641
DivK1c_006724
DIBUTYL PHTHALATE [MI]
GTPL6295
DIBUTYL PHTHALATE [HSDB]
DIBUTYL PHTHALATE [INCI]
KBio1_001668
KBio2_002532
KBio2_005100
KBio2_007668
KBio3_002047
BUTYL PHTHALATE [WHO-DD]
Dibutyl phthalate, AR, >=99%
Dibutyl phthalate, LR, >=98%
Dibutyl 1, 2-benzenedicarboxylate
Dibutyl-1,2-benzene-dicarboxylate
HMS2091E09
HMS3041E18
Pharmakon1600-00330086
BCP24796
HY-Y0304
Benzol-1,2-dicarbonsauredibutylester
Dibutyl phthalate, Selectophore(TM)
Tox21_201729
Tox21_300980
BBL011532
BDBM50371946
NSC755894
STL146650
AKOS005720807
Di(n-butyl) 1,2-benzenedicarboxylate
CCG-230933
DB13716
MCULE-8727957434
NSC-755894
USEPA/OPP Pesticide Code: 028001
NCGC00090769-01
NCGC00090769-02
NCGC00090769-03
NCGC00090769-04
NCGC00090769-05
NCGC00090769-06
NCGC00090769-07
NCGC00090769-08
NCGC00090769-09
NCGC00254882-01
NCGC00259278-01
SMR000777923
SBI-0052568.P002
CS-0013564
Dibutyl phthalate, ReagentPlus(R), >=99%
NS00010095
P0292
S5377
EN300-77394
1,2 Benzenedicarboxylic acid, di-n-butyl ester
Dibutyl phthalate, SAJ special grade, >=98.0%
1,2 Benzenedicarboxylic acid, bis(n-butyl) ester
Q415612
J-503795
SR-05000001549-1
SR-05000001549-3
BRD-K73477617-001-01-0
BRD-K73477617-001-04-4
Dibutyl phthalate, PESTANAL(R), analytical standard
F0001-2134
Z277540112
Dibutyl phthalate, certified reference material, TraceCERT(R)
Dibutyl phthalate, European Pharmacopoeia (EP) Reference Standard
Dibutyl phthalate, United States Pharmacopeia (USP) Reference Standard
Dibutyl Phthalate, Pharmaceutical Secondary Standard; Certified Reference Material
Microorganism:

Yes

IUPAC namedibutyl benzene-1,2-dicarboxylate
SMILESCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCC
InchiInChI=1S/C16H22O4/c1-3-5-11-19-15(17)13-9-7-8-10-14(13)16(18)20-12-6-4-2/h7-10H,3-6,11-12H2,1-2H3
FormulaC16H22O4
PubChem ID3026
Molweight278.34
LogP4.7
Atoms20
Bonds10
H-bond Acceptor4
H-bond Donor0
Chemical Classificationbenzenoids esters aromatic compounds
CHEBI-ID34687
Supernatural-IDSN0071064

mVOC Specific Details

Boiling Point
DegreeReference
340 °C peer reviewed
Volatilization
The Henry's Law constant for dibutyl phthalate is reported as 1.81X10-6 atm-cu m/mole(1). This Henry's Law constant indicates that dibutyl phthalate is expected to volatilize from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as 34 days(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 250 days(SRC). However, volatilization from water surfaces is expected to be attenuated by adsorption to suspended solids and sediment in the water column. The estimated volatilization half-life from a model pond is 22 years if adsorption is considered(3). Dibutyl phthalate's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Dibutyl phthalate is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 2.01X10-5 mm Hg(4).
Literature: (1) Atlas E et al; Chemosphere 12: 1251-8 (1983) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) US EPA; EXAMS II Computer Simulation (1987) (4) Donovan SF; J Chromatogr A 749: 123-29 (1996)
Soil Adsorption
A log Koc value of 3.14 was determined from measurements on soil samples from Broome County, NY(1-2). An experimental log Koc of 3.05 was determined from unsaturated soil columns(3). Dibutyl phthalate had measured log Koc values of 3.05-3.06 in Typic Haplaquept type loamy, sandy soil(4). According to a classification scheme(5), these Koc values suggest that dibutyl phthalate is expected to have low mobility in soil(SRC). A mean sediment log Koc value of 3.8 was calculated from the mean dibutyl phthalate concentration in water and suspended particulate matter from Lake Yssel, The Netherlands(6).
Literature: (1) Kookana RS, Rogers SL; Rev Environ Contam Pollut 142: 13-64 (1995) (2) Russel DJ, McDuffie B; Chemosphere 15: 1003-21 (1986) (3) Zurmuehl T et al; J Contam Hydrol 8: 111-33 (1991) (4) Zurmuehl T et al; J Contam Hydrol 8: 111-33 (1991) (5) Swann RL et al; Res Rev 85: 17-28 (1983) (6) Ritsema R et al; Chemosphere 18: 2161-75 (1989)
Vapor Pressure
PressureReference
2.01X10-5 mm Hg at 25 deg CDonovan SF; J Chromatogr A 749: 123-129 (1996)
MS-Links
1D-NMR-Links
Massbank-Links
Massbank Spectrum MSBNK-Athens_Univ-AU500401
Massbank Spectrum MSBNK-Athens_Univ-AU500402
Massbank Spectrum MSBNK-Athens_Univ-AU500403
Massbank Spectrum MSBNK-Athens_Univ-AU500404
Massbank Spectrum MSBNK-Athens_Univ-AU500405
Massbank Spectrum MSBNK-BGC_Munich-RP019901
Massbank Spectrum MSBNK-BGC_Munich-RP019902
Massbank Spectrum MSBNK-BGC_Munich-RP019903
Massbank Spectrum MSBNK-CASMI_2016-SM822401
Massbank Spectrum MSBNK-Eawag-EQ367001
Massbank Spectrum MSBNK-Eawag-EQ367002
Massbank Spectrum MSBNK-Eawag-EQ367003
Massbank Spectrum MSBNK-Eawag-EQ367004
Massbank Spectrum MSBNK-Eawag-EQ367005
Massbank Spectrum MSBNK-Eawag-EQ367006
Massbank Spectrum MSBNK-Eawag-EQ367007
Massbank Spectrum MSBNK-Eawag-EQ367008
Massbank Spectrum MSBNK-Eawag-EQ367009
Massbank Spectrum MSBNK-Eawag-EQ367051
Massbank Spectrum MSBNK-Eawag-EQ367052
Massbank Spectrum MSBNK-Eawag-EQ367053
Massbank Spectrum MSBNK-Eawag-EQ367054
Massbank Spectrum MSBNK-Eawag-EQ367055
Massbank Spectrum MSBNK-Eawag-EQ367056
Massbank Spectrum MSBNK-Eawag-EQ367057
Massbank Spectrum MSBNK-Eawag-EQ367058
Massbank Spectrum MSBNK-Eawag-EQ367059
Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP001700
Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP003306
Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP005814
Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP006128
Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP008514
Massbank Spectrum MSBNK-LCSB-LU082301
Massbank Spectrum MSBNK-LCSB-LU082302
Massbank Spectrum MSBNK-LCSB-LU082303
Massbank Spectrum MSBNK-LCSB-LU082304
Massbank Spectrum MSBNK-LCSB-LU082305
Massbank Spectrum MSBNK-LCSB-LU082306
Massbank Spectrum MSBNK-UFZ-UF418001
Massbank Spectrum MSBNK-UFZ-UF418002
Massbank Spectrum MSBNK-UFZ-UF418003
Massbank Spectrum MSBNK-UFZ-UF418004

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaPseudomonas Sp.antifungal activity against Thielaviopsis ethacetica mycelial growthBrazilian Biorenewables National Laboratory – LNBR/CNPEM Microorganism Collection, Campinas, SP; isolatedfrom soil and roots of highly productive sugarcane-producing regions; BrazilFreitas et al. 2022
ProkaryotaCarnobacterium Divergensn/aNAErcolini et al. 2009
ProkaryotaPseudomonas Fragin/aNAErcolini et al. 2009
EukaryotaSaccharomyces CerevisiaeNANAHarris et al. 2021
ProkaryotaAchromobacter Sp.NANAAlmeida et al. 2022
Bacillus ToyonensisKoilybayeva et al. 2023
Bacillus CereusKoilybayeva et al. 2023
Bacillus SafensisKoilybayeva et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaPseudomonas Sp.DYGS mediaHS-SPME/GC-MSno
ProkaryotaCarnobacterium Divergensn/an/ano
ProkaryotaPseudomonas Fragin/an/ano
EukaryotaSaccharomyces Cerevisiaemalt extract brothHS-SPME with GC-MSno
ProkaryotaAchromobacter Sp.LB broth supplemented with cryoprotectant solution (25 g L−1 gelatin, 50 g L−1 lactose, 10 g L−1 peptone, and 250 g L−1 glycerol)SPME with gas chromatograph (Agilent 7890A, Agilent Technologies) connected to a mass spectrometer (Pegasus® HT TOFMS, LECO Corporation)no
Bacillus Toyonensisbacteriological agar (BA, 15 g/L), gelatin peptone (GP, 5 g/L), and meat extract (ME, 3 g/L)GC–MSno
Bacillus Cereusbacteriological agar (BA, 15 g/L), gelatin peptone (GP, 5 g/L), and meat extract (ME, 3 g/L)GC–MSno
Bacillus Safensisbacteriological agar (BA, 15 g/L), gelatin peptone (GP, 5 g/L), and meat extract (ME, 3 g/L)GC–MSno