Results for:
PubChem ID: 6781

Diethyl Benzene-1,2-dicarboxylate

Mass-Spectra

Compound Details

Synonymous names
Phthalsaeurediaethylester
diethyl benzenedicarboxylate
Diethylphthalate
Diethyl o-phenylenediacetate
Diethylester kyseliny ftalove
DIETHYL PHTHALATE
Diethyl phthalate/dimethyl phthalate
FLKPEMZONWLCSK-UHFFFAOYSA-N
Neantine
Phthalol
Solvanol
Anozol
diethyl phtalate
Ethyl phthalate
Phthalsaeurediaethylester [German]
o-Benzenedicarboxylic acid diethyl ester
Benzenedicarboxylic acid, diethyl ester
Kodaflex DEP
Palatinol A
Phthalic acid diethyl
Diethyl o-phthalate
Diethyl-o-phthalate
o-Bis(ethoxycarbonyl)benzene
phthalic acid diethyl ester
PHTHALIC ACID,DIETHYL ESTER
Placidol E
solvano l
Unimoll DA
AC1L1NAJ
DEP NF
o-Benzenedicarboxylic acid, diethyl ester
Diethyl 1,2-benzenedicarboxylate
Diethyl Phthalate Metal Plastic IBC/Tote
Diethyl Phthalate NF NF Perfume
Diethyl-1,2-benzenedicarboxylate
AC1Q64KI
Di-n-ethyl phthalate
Diethylester kyseliny ftalove [Czech]
DIETHYLPHTHALATE(RING-D4)
Phthalic acid, diethyl ester
ethyl 2-(ethoxycarbonyl)benzoate
Diethyl Phthalate [USAN]
KSC448E0D
Phthalic acid diethyl ester, DEP||
ZINC1287
1,2-benzenedicarboxylic acid diethyl ester
ACMC-20aj0r
diethyl benzene-1,2-dicarboxylate
Diethyl phthalate (NF)
Diethyl phthalate [NF]
Diethyl phthalate, >=99%
NSC8905
SCHEMBL22296
1,2-Diethyl phthalate
CTK3E8201
Diethyl phthalate, 99%
Diethyl phthalate, European Pharmacopoeia (EP) Reference Standard
HSDB 926
P0296
UF064M00AF
BIDD:ER0639
CHEMBL388558
RP27382
A10802
bmse000846
C14175
CCRIS 2675
D03804
Diethyl ester of 1,2-Benzenedicarboxylic acid
Diethyl phthalate, United States Pharmacopeia (USP) Reference Standard
DPX-F5384
Estol 1550
HMS2233J05
HMS3369G01
RCRA waste number U088
UNII-UF064M00AF
1,2-Benzenedicarboxylic acid, diethyl ester
BBL011577
benzene-1,2-dicarboxylic acid diethyl ester
Diethyl phthalate, PESTANAL(R), analytical standard
Diethyl Phthalate, pharmaceutical secondary standard; traceable to USP, PhEur
DTXSID7021780
LS-1838
NSC 8905
NSC-8905
OR015849
OR143544
OR328309
OR328310
OR328311
SBB060561
STL163320
ZB000300
CHEBI:34698
DSSTox_CID_1780
NCI-C60048
WLN: 2OVR BVO2
AJ-07993
AK-98162
AN-24076
ANW-75577
AX8124754
CC-26717
Diethyl phthalate, >=99.5%
DSSTox_GSID_21780
ACN-S002427
BB_SC-7041
C-34265
Diethyl phthalate, 99.5%
Diethyl phthalate, LR, >=99%
DSSTox_RID_76323
MFCD00009111
ZINC00001287
AI3-00329
KB-251524
RTR-030992
ST24046564
ST50406385
TR-030992
AKOS000119867
Epitope ID:140105
I01-6179
Q-200982
RCRA waste no. U088
BRN 1912500
Diethyl Phthalate MIL-D-242 Mil Spec
FT-0624802
MLS001336021
MLS001336022
MLS002152901
MLS002177800
SMR000857334
84-66-2
1,2-diethyl benzene-1,2-dicarboxylate
Tox21_111050
Tox21_201874
Tox21_300183
3B1-009116
F1908-0104
CAS-84-66-2
Diethyl phthalate, SAJ special grade, >=98.0%
MCULE-8221041887
NCGC00090974-01
NCGC00090974-02
NCGC00090974-03
NCGC00090974-04
NCGC00090974-05
NCGC00090974-06
NCGC00254098-01
NCGC00259423-01
1,2-Benzenedicarboxylic acid, 1,2-diethyl ester
EINECS 201-550-6
EINECS 273-520-0
68988-18-1
MolPort-003-905-624
1,2-Benzenedicarboxylic acid, di-C4-13-alkyl esters
Diethylphthalate, A-A-59314, JAN-D-242
4-09-00-03172 (Beilstein Handbook Reference)
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
LogP2.69
Atoms30
Bonds30
H-bond Acceptor2
H-bond Donor0
Chemical Classificationesters benzenoids

mVOC Specific Details

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)

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
FungiFusarium Graminearum 15AcDONn/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON 1001tan/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON ZFR 29n/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON_4n/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON_5n/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON_6n/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON_7n/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON_8n/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON_9n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON 1002tn/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON 11791n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON 1509n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON 8046n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON NRRL38369n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON NRRL6394n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON ZFR 15n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON ZFR 37n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON ZFR 51n/aBusko et al., 2014
FungiFusarium Graminearum NIVn/aBusko et al., 2014
FungiFusarium Graminearum NIV ZFR 119n/aBusko et al., 2014
FungiFusarium Graminearum NIV ZFR 23n/aBusko et al., 2014
FungiFusarium Graminearum NIV ZFR 48n/aBusko et al., 2014
FungiFusarium Graminearum NIV_5n/aBusko et al., 2014
FungiFusarium Graminearum NIV_6n/aBusko et al., 2014
FungiFusarium Graminearum NIV_7n/aBusko et al., 2014
FungiFusarium Graminearum NIV_8n/aBusko et al., 2014
FungiFusarium Graminearum NIV_9n/aBusko et al., 2014
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
FungiFusarium Graminearum 15AcDONyeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON 1001tayeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON ZFR 29yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON_4yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON_5yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON_6yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON_7yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON_8yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON_9yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON 1002tyeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON 11791yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON 1509yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON 8046yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON NRRL38369yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON NRRL6394yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON ZFR 15yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON ZFR 37yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON ZFR 51yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIVyeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV ZFR 119yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV ZFR 23yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV ZFR 48yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV_5yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV_6yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV_7yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV_8yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV_9yeast extract sucrose agarSPME/GC-MS