Results for:
PubChem ID: 6781

Diethyl Benzene-1,2-dicarboxylate

Mass-Spectra

Compound Details

Synonymous names
DIETHYL PHTHALATE
84-66-2
Ethyl phthalate
phthalic acid diethyl ester
Anozol
diethyl benzene-1,2-dicarboxylate
Diethylphthalate
Neantine
Phthalol
Solvanol
Diethyl o-phthalate
Palatinol A
Placidol E
Unimoll DA
Phthalsaeurediaethylester
o-Bis(ethoxycarbonyl)benzene
Diethyl 1,2-benzenedicarboxylate
1,2-Diethyl phthalate
Estol 1550
1,2-Benzenedicarboxylic acid, diethyl ester
Di-n-ethyl phthalate
o-Benzenedicarboxylic acid diethyl ester
Diethyl o-phenylenediacetate
Phthalic acid, diethyl ester
RCRA waste number U088
Diethylester kyseliny ftalove
NCI-C60048
NSC 8905
1,2-benzenedicarboxylic acid diethyl ester
CCRIS 2675
HSDB 926
CHEBI:34698
diethyl phtalate
DPX-F5384
NSC-8905
EINECS 201-550-6
UNII-UF064M00AF
Diethyl-o-phthalate
1,2-diethyl benzene-1,2-dicarboxylate
BRN 1912500
O-phthalic acid, diethyl ester
UF064M00AF
DTXSID7021780
AI3-00329
Diethyl phthalate (NF)
Diethyl phthalate [NF]
DTXCID901780
PHTHALIC ACID ETHYL ESTER
EC 201-550-6
1,2-Benzenedicarboxylic acid, 1,2-diethyl ester
4-09-00-03172 (Beilstein Handbook Reference)
NCGC00090974-03
o-Benzenedicarboxylic acid, diethyl ester
Diethyl phthalate, 99%
68988-18-1
DIETHYL PHTHALATE (II)
DIETHYL PHTHALATE [II]
DIETHYL PHTHALATE (MART.)
DIETHYL PHTHALATE [MART.]
DIETHYL PHTHALATE (USP-RS)
DIETHYL PHTHALATE [USP-RS]
CAS-84-66-2
DIETHYL PHTHALATE (EP MONOGRAPH)
DIETHYL PHTHALATE [EP MONOGRAPH]
SMR000857334
Phthalsaeurediaethylester [German]
Diethyl phthalate, PESTANAL(R), analytical standard
Diethylester kyseliny ftalove [Czech]
RCRA waste no. U088
Phthalic acid, bis-ethyl ester
Kodaflex DEP
Diethyl phthalic acid
Diethyl Phthalate, NF
diethyl 1,2-benzenedioate
bmse000846
Epitope ID:140105
WLN: 2OVR BVO2
Diethyl phthalate, >=99%
Diethyl phthalate, 99.5%
SCHEMBL22296
dimethyphalate ,ethylphthalate
MLS001336021
MLS001336022
MLS002152901
MLS002177800
BIDD:ER0639
DIETHYL PHTHALATE (0)
CHEMBL388558
Diethyl phthalate, >=99.5%
DIETHYL PHTHALATE [HSDB]
DIETHYL PHTHALATE [INCI]
Diethyl-1,2-benzenedicarboxylate
DIETHYL PHTHALATE [VANDF]
ETHYL PHTHALATE [WHO-DD]
NSC8905
Diethyl phthalate, LR, >=99%
Phthalic acid, bis-isodecyl ester
HMS2233J05
HMS3369G01
PHTHALIC ACID,DIETHYL ESTER
Diethyl phthalate/dimethyl phthalate
STR04116
Tox21_111050
Tox21_201874
Tox21_300183
BBL011577
MFCD00009111
STL163320
AKOS000119867
MCULE-8221041887
PHTHALIC ACID ETHYL ESTER [MI]
NCGC00090974-01
NCGC00090974-02
NCGC00090974-04
NCGC00090974-05
NCGC00090974-06
NCGC00254098-01
NCGC00259423-01
benzene-1,2-dicarboxylic acid diethyl ester
CS-0013981
NS00009893
P0296
Diethyl ester of 1,2-Benzenedicarboxylic acid
EN300-20094
D03804
Diethyl phthalate, SAJ special grade, >=98.0%
Q419811
Q-200982
F1908-0104
Diethyl phthalate, European Pharmacopoeia (EP) Reference Standard
Diethyl phthalate, United States Pharmacopeia (USP) Reference Standard
Diethyl Phthalate, Pharmaceutical Secondary Standard; Certified Reference Material
InChI=1/C12H14O4/c1-3-15-11(13)9-7-5-6-8-10(9)12(14)16-4-2/h5-8H,3-4H2,1-2H
Microorganism:

Yes

IUPAC namediethyl benzene-1,2-dicarboxylate
SMILESCCOC(=O)C1=CC=CC=C1C(=O)OCC
InchiInChI=1S/C12H14O4/c1-3-15-11(13)9-7-5-6-8-10(9)12(14)16-4-2/h5-8H,3-4H2,1-2H3
FormulaC12H14O4
PubChem ID6781
Molweight222.24
LogP2.5
Atoms16
Bonds6
H-bond Acceptor4
H-bond Donor0
Chemical Classificationbenzenoids esters aromatic compounds
CHEBI-ID34698
Supernatural-IDSN0088879

mVOC Specific Details

Boiling Point
DegreeReference
295 °C peer reviewed
Volatilization
The Henry's Law constant for diethyl phthalate is estimated as 6.1X10-7 atm-cu m/mole(SRC) derived from its vapor pressure, 2.1X10-3 mm Hg(1), and water solubility, 1,080 mg/L(2). This Henry's Law constant indicates that diethyl phthalate is expected to be essentially nonvolatile from water surfaces(3). Diethyl phthalate is not expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(1).
Literature: (1) Hinckley DA et al; J Chem Eng Data 35: 232-37 (1990) (2) Howard PH et al; Environ Tox Chem 4: 653-61 (1985) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990)
Soil Adsorption
A Koc value of diethyl phthalate of 1,726 was measured in podzol soil at pH 2.8 and 4.85% carbon, a value of 704 in alfisol soil at pH 6.7 and 1.25% carbon, a value of 320 in sediment at pH 7.1 and 1.58% carbon(1). An experimental log Koc of 1.99 was determined from unsaturated soil columns at pH 4.8(2). A Koc value of 69 was determined from measurements on soil samples from Broome County, NY(3). According to a classification scheme(4), these Koc values suggest that diethyl phthalate is expected to have low to high mobility in soil.
Literature: (1) Vonopen B et al; Chemosphere 22: 285-304 (1991) (2) Zurmuehl T et al; J Contam Hydrol 8: 111-33 (1991) (3) Russel DJ, McDuffie B; Chemosphere 15: 1003-21 (1986) (4) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
2.1X10-3 mm Hg at 25 deg CHinckley DA; J Chem Eng Data 35:232-237 (1990)
Massbank-Links
Massbank Spectrum MSBNK-BGC_Munich-RP020001
Massbank Spectrum MSBNK-BGC_Munich-RP020002
Massbank Spectrum MSBNK-BGC_Munich-RP020003
Massbank Spectrum MSBNK-CASMI_2016-SM835301
Massbank Spectrum MSBNK-Eawag-EQ367201
Massbank Spectrum MSBNK-Eawag-EQ367202
Massbank Spectrum MSBNK-Eawag-EQ367203
Massbank Spectrum MSBNK-Eawag-EQ367204
Massbank Spectrum MSBNK-Eawag-EQ367205
Massbank Spectrum MSBNK-Eawag-EQ367206
Massbank Spectrum MSBNK-Eawag-EQ367207
Massbank Spectrum MSBNK-Eawag-EQ367208
Massbank Spectrum MSBNK-Eawag-EQ367209
Massbank Spectrum MSBNK-Eawag-EQ367251
Massbank Spectrum MSBNK-Eawag-EQ367252
Massbank Spectrum MSBNK-Eawag-EQ367253
Massbank Spectrum MSBNK-Eawag-EQ367254
Massbank Spectrum MSBNK-Eawag-EQ367255
Massbank Spectrum MSBNK-Eawag-EQ367256
Massbank Spectrum MSBNK-Eawag-EQ367257
Massbank Spectrum MSBNK-Eawag-EQ367258
Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP001751
Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP001752
Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP003305
Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP005812
Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP006126
Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP008512

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaBacillus Subtilisantibacterial activity against growth of Ralstonia solanacearumPlant Bacteriology Lab, Division of Plant Pathology, Indian Council of Agricultural Research - Indian Agricultural Research Institute, New DelhiKashyap et al. 2022
ProkaryotaPseudomonas Fluorescensantibacterial activity against growth of Ralstonia solanacearumPlant Bacteriology Lab, Division of Plant Pathology, Indian Council of Agricultural Research - Indian Agricultural Research Institute, New DelhiKashyap et al. 2022
EukaryotaFusarium Graminearumn/aNABusko et al. 2014
EukaryotaZygosaccharomyces RouxiiNANAPei et al. 2022
Aspergillus FlavusKate et al. 2023
Pectobacterium CarotovorumKate et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaBacillus SubtilisLB agarGC-MSno
ProkaryotaPseudomonas FluorescensLB agarGC-MSno
EukaryotaFusarium Graminearumyeast extract sucrose agarSPME/GC-MSno
EukaryotaZygosaccharomyces RouxiiYPD mediumGC-MSno
Aspergillus Flavusinoculated potato samplesGC-MSno
Pectobacterium Carotovoruminoculated potato samplesGC-MSno