Results for:
PubChem ID: 6327514

Bis(2-ethylhexoxy)-oxophosphanium

Compound Details

Synonymous names
Bis(2-ethylhexyl) phosphite
3658-48-8
Bis(2-ethylhexyl) phosphonate
BIS(2-ETHYLHEXYL) HYDROGEN PHOSPHITE
Diisooctyl phosphite
Di-2-ethylhexyl phosphite
Chelex H 8
bis(2-ethylhexoxy)-oxophosphanium
Phosphonic acid, bis(2-ethylhexyl) ester
Bis(2-ethylhexyl) phosphonic acid
bis(2-ethylhexyl)phosphite
Di-2-ethylhexyl hydrogen phosphite
Phosphorous acid, bis(2-ethylhexyl) ester
NSC 2664
J9H3L1N82V
DTXSID2044927
Bis(2-ethyl-1-hexyl) phosphite
NSC-2664
UNII-J9H3L1N82V
BIS(2-ETHYLHEXYL)HYDROGEN PHOSPHITE
HSDB 2607
EINECS 222-904-6
BRN 1711893
di(2-ethylhexyl) phosphonate
SCHEMBL329554
CHEMBL3186250
DTXCID0024927
NSC2664
ZLMKQJQJURXYLC-UHFFFAOYSA-N
Bis(2-ethylhexyl) phosphite, 96%
Tox21_301682
MFCD00009490
NCGC00256148-01
Phosphonic acid, di-2-ethyl hexyl ester
CAS-3658-48-8
DB-048976
NS00021136
I10180
PHOSPHONIC ACID DI(2-ETHYLHEXYL) ESTER
BIS(2-ETHYLHEXYL) HYDROGEN PHOSPHITE [HSDB]
BIS[(2-ETHYLHEXYL)OXY](OXO)-??-PHOSPHANYLIUM
Q27281381
Microorganism:

Yes

IUPAC namebis(2-ethylhexoxy)-oxophosphanium
SMILESCCCCC(CC)CO[P+](=O)OCC(CC)CCCC
InchiInChI=1S/C16H34O3P/c1-5-9-11-15(7-3)13-18-20(17)19-14-16(8-4)12-10-6-2/h15-16H,5-14H2,1-4H3/q+1
FormulaC16H34O3P+
PubChem ID6327514
Molweight305.41
LogP6.2
Atoms20
Bonds14
H-bond Acceptor3
H-bond Donor0
Chemical Classificationphosphorus compounds

mVOC Specific Details

Boiling Point
DegreeReference
150 °C peer reviewed
Volatilization
The Henry's Law constant for bis(2-ethylhexyl) hydrogen phosphite is estimated as 1.7X10-4 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that bis(2-ethylhexyl) hydrogen phosphite 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 14 hours(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 9.6 days(SRC). However, volatilization from water surfaces is expected to be attenuated by adsorption to suspended solids and sediment in the water column(SRC). The estimated volatilization half-life from a model pond is 10 years if adsorption is considered(3). Bis(2-ethylhexyl) hydrogen phosphite's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). However, volatilization is expected to be attenuated by adsorption to soil (SRC). Bis(2-ethylhexyl) hydrogen phosphite is not expected to volatilize from dry soil surfaces(SRC), based upon a vapor pressure of 5.8X10-5 mm Hg(4).
Soil Adsorption
Using a structure estimation method based on molecular connectivity indices(1), the Koc of bis(2-ethylhexyl) hydrogen phosphite can be estimated to be 1.2X10+4(SRC). According to a classification scheme(2), this estimated Koc value suggests that bis(2-ethylhexyl) hydrogen phosphite is expected to be immobile in soil.

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaSaccharomyces CerevisiaeNANAHarris et al. 2021
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaSaccharomyces Cerevisiaemalt extract brothHS-SPME with GC-MSno