Results for:
chemical Classification: phosphorus compounds

[(2R,3S,5R)-3,5-dihydroxyoxolan-2-yl]methyl Dihydrogen Phosphate

Compound Details

Synonymous names
deoxyribose 5-phosphate
2'-DEOXY-RIBOFURANOSE-5'-MONOPHOSPHATE
2-deoxyribose-5-phosphate
deoxyribose-5-P
2-deoxyribose-5-P
2-deoxy-alpha-D-ribose 5-phosphate
DEOXY-RIBOSE-5P
ABASIC DEOXYRIBOSE
2-deoxy-D-ribose-5-phosphate
SCHEMBL20597055
CHEBI:190741
2-deoxy-alpha-delta-ribose 5-phosphate
2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranose
Q27457178
[(2R,3S,5R)-3,5-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
{[(2R,3S,5R)-3,5-dihydroxyoxolan-2-yl]methoxy}phosphonic acid
Microorganism:

Yes

IUPAC name[(2R,3S,5R)-3,5-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
SMILESC1C(C(OC1O)COP(=O)(O)O)O
InchiInChI=1S/C5H11O7P/c6-3-1-5(7)12-4(3)2-11-13(8,9)10/h3-7H,1-2H2,(H2,8,9,10)/t3-,4+,5+/m0/s1
FormulaC5H11O7P
PubChem ID45934311
Molweight214.11
LogP-2.6
Atoms13
Bonds3
H-bond Acceptor7
H-bond Donor4
Chemical Classificationalcohols phosphorus compounds ethers heterocyclic compounds
CHEBI-ID190741
Supernatural-IDSN0188469-02

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaBurkholderia ArborisNANAZhu et al. 2022
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaBurkholderia Arborisnutrient agar (NA) mediumUPLC-QTOF/MSno


Tributyl Phosphate

Compound Details

Synonymous names
TRIBUTYL PHOSPHATE
126-73-8
Tri-n-butyl phosphate
Tributylphosphate
Butyl phosphate
Phosphoric acid tributyl ester
Tributylphosphat
Celluphos 4
Disflamoll TB
Phosphoric acid, tributyl ester
tbpa
Tributilfosfato
Tributylfosfaat
Tributyle (phosphate de)
Butyl phosphate, tri-
Tributoxyphosphine oxide
Tributylfosfat
Butyl phosphate, ((BuO)3PO)
Phosphoric acid tri-n-butyl ester
NSC 8484
DTXSID3021986
95UAS8YAF5
CHEBI:35019
NSC-8484
Tri-N-butylphosphate
DTXCID701986
Tributylfosfat [Czech]
Tributylfosfaat [Dutch]
Tributilfosfato [Italian]
Tributylphosphat [German]
CAS-126-73-8
TNBP
CCRIS 6106
HSDB 1678
Tributyle (phosphate de) [French]
MCS 2495
EINECS 204-800-2
Tri-n-butyl phosphate; Phosphoric acid tributyl ester
UNII-95UAS8YAF5
BRN 1710584
AI3-00399
Tributylphsophate
Kronitex TBP
Tributyl ester of phosphoric acid
Tributyle(phosphate de)
tris(1-butyl) phosphate
Tributyl phosphate, 97%
Tributyl phosphate, 99%
bmse000777
EC 204-800-2
Tributyl phosphate 10 microg/mL in Cyclohexane
Tributyl Phosphate 1000 microg/mL in Methanol
Syn-O-Ad 8412
SCHEMBL18570
Tributyl phosphate, >=99%
4-01-00-01531 (Beilstein Handbook Reference)
BIDD:ER0345
TRIBUTYL PHOSPHATE [MI]
CHEMBL1371096
NSC8484
TRIBUTYL PHOSPHATE [HSDB]
Phosphoric acid, tri-n-butyl ester
Tox21_201872
Tox21_300107
MFCD00009436
WLN: 4OPO & O4 & O4
AKOS015995460
MCULE-3436505303
TRI-N-BUTYL PHOSPHATE [MART.]
Tributyl phosphate, analytical standard
NCGC00091588-01
NCGC00091588-02
NCGC00091588-03
NCGC00091588-04
NCGC00254202-01
NCGC00259421-01
NS00010255
P0266
TRI-N-BUTYL PHOSPHATE [EP MONOGRAPH]
Tributyl phosphate, puriss., >=99.0% (GC)
Tributyl phosphate, SAJ first grade, >=99.0%
Tributyl phosphate, Selectophore(TM), >=98.0%
A805594
Q613394
J-005429
F1905-7225
Tributyl phosphate, 10 mug/mL in hexane, analytical standard
Tri-n-butyl phosphate, European Pharmacopoeia (EP) Reference Standard
Tributyl phosphate, Pharmaceutical Secondary Standard; Certified Reference Material
InChI=1/C12H27O4P/c1-4-7-10-14-17(13,15-11-8-5-2)16-12-9-6-3/h4-12H2,1-3H
Microorganism:

Yes

IUPAC nametributyl phosphate
SMILESCCCCOP(=O)(OCCCC)OCCCC
InchiInChI=1S/C12H27O4P/c1-4-7-10-14-17(13,15-11-8-5-2)16-12-9-6-3/h4-12H2,1-3H3
FormulaC12H27O4P
PubChem ID31357
Molweight266.31
LogP2.9
Atoms17
Bonds12
H-bond Acceptor4
H-bond Donor0
Chemical Classificationphosphorus compounds
CHEBI-ID35019
Supernatural-IDSN0354582

mVOC Specific Details

Boiling Point
DegreeReference
289 °C peer reviewed
Volatilization
The Henry's Law constant for tributyl phosphate is estimated as 1.4X10-6 atm-cu m/mole(SRC) derived from its vapor pressure, 1.13X10-3 mm Hg(1), and water solubility, 280 mg/L(2). This Henry's Law constant indicates that tributyl phosphate is expected to volatilize from water surfaces(3). 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)(3) is estimated as 40 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)(3) is estimated as 300 days(SRC). Tributyl phosphate's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Tributyl phosphate is not expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(1).
Soil Adsorption
Using a structure estimation method based on molecular connectivity indices(1), the Koc of tributyl phosphate can be estimated to be 2400(SRC). According to a classification scheme(2), this estimated Koc value suggests that tributyl phosphate is expected to have slight mobility in soil.
Massbank-Links
Massbank Spectrum MSBNK-Antwerp_Univ-AN118201
Massbank Spectrum MSBNK-Antwerp_Univ-AN118202
Massbank Spectrum MSBNK-Antwerp_Univ-AN118203
Massbank Spectrum MSBNK-Antwerp_Univ-AN118204
Massbank Spectrum MSBNK-Antwerp_Univ-AN118205
Massbank Spectrum MSBNK-Antwerp_Univ-AN118206
Massbank Spectrum MSBNK-Antwerp_Univ-AN118207
Massbank Spectrum MSBNK-Antwerp_Univ-AN118208
Massbank Spectrum MSBNK-Antwerp_Univ-AN118209
Massbank Spectrum MSBNK-Antwerp_Univ-AN118210
Massbank Spectrum MSBNK-Antwerp_Univ-AN118211
Massbank Spectrum MSBNK-Antwerp_Univ-AN118212
Massbank Spectrum MSBNK-Antwerp_Univ-AN118213
Massbank Spectrum MSBNK-Antwerp_Univ-AN118214
Massbank Spectrum MSBNK-Antwerp_Univ-AN118215
Massbank Spectrum MSBNK-BAFG-CSL23111014491
Massbank Spectrum MSBNK-BAFG-CSL23111014492
Massbank Spectrum MSBNK-BAFG-CSL23111014493
Massbank Spectrum MSBNK-BAFG-CSL23111014494
Massbank Spectrum MSBNK-BAFG-CSL23111014495
Massbank Spectrum MSBNK-BAFG-CSL23111014496
Massbank Spectrum MSBNK-BAFG-CSL23111014497
Massbank Spectrum MSBNK-BAFG-CSL23111014498
Massbank Spectrum MSBNK-BAFG-CSL23111014499
Massbank Spectrum MSBNK-BAFG-CSL23111014500
Massbank Spectrum MSBNK-BAFG-CSL23111014501
Massbank Spectrum MSBNK-BAFG-CSL23111014502
Massbank Spectrum MSBNK-BAFG-CSL23111014503
Massbank Spectrum MSBNK-BAFG-CSL23111014504
Massbank Spectrum MSBNK-BAFG-CSL23111014505
Massbank Spectrum MSBNK-BAFG-CSL23111014506
Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP003363
Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP003581
Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP006068

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaPseudomonas AeruginosaNACeleiro et al. 2020
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaPseudomonas AeruginosaSPME/GC-MSno


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


Phosphono [(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] Hydrogen Phosphate

Compound Details

Synonymous names
farnesyl diphosphate
farnesyl pyrophosphate
(2E,6E)-Farnesyl diphosphate
(all-E)-Farnesyl diphosphate
Farnesylpyrophosphate
all-trans-Farnesyl pyrophosphate
(2E,6E)-Farnesyl pyrophosphate
(E,E)-Farnesyl pyrophosphate
13058-04-3
372-97-4
trans,trans-Farnesyl diphosphate
trans-Farnesyl pyrophosphate
2-trans,6-trans-farnesyl diphosphate
2-trans,6-trans-Farnesyl pyrophosphate
(E,E)-Farnesyl diphosphate
Farnesol pyrophosphate
farnesyl-PP
(2E,6E)-farnesol diphosphate
trans-trans-farnesyl diphosphate
CHEBI:17407
trans,trans-Farnesyl pyrophosphate
Sq 32709
CHEMBL69330
(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl trihydrogen diphosphate
phosphono [(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] hydrogen phosphate
79W6B01D07
FPP
2,6,10-Dodecatrien-1-ol, 3,7,11-trimethyl-, trihydrogen pyrophosphate, (E,E)-
Diphosphoric acid, P-(3,7,11-trimethyl-2,6,10-dodecatrien-1-yl) ester
Diphosphoric acid, mono(3,7,11-trimethyl-2,6,10-dodecatrienyl) ester, (E,E)-
Farnesyldiphosphat
UNII-79W6B01D07
Farnesyl trihydrogen pyrophosphate
Diphosphoric acid, mono((2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrienyl) ester
Diphosphoric acid, mono[(2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrienyl] ester
Diphosphoric acid,P-(3,7,11-trimethyl-2,6,10-dodecatrienyl) ester
Epitope ID:153909
G8X8WT527W
GTPL3050
Diphosphoric acid, mono[(2Z,6E)-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl] ester
trans-trans-Farnesyl pyrophosphate
DTXSID701020624
Farnesyl diphosphate, (2E,6E)-
BDBM50366477
Diphosphoric acid, mono(3,7,11-trimethyl-2,6,10-dodecatrienyl) ester
DB07780
LMPR0103010002
trans,trans-Farnesyl diphosphate (FPP)
(2-trans,6-trans)-Farnesyl diphosphate
Diphosphoric acid, P-[(2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl] ester
HY-113037
CS-0059409
NS00015199
C00448
Q2699676
BRD-A57226833-001-01-1
2,6,10-Dodecatrien-1-ol, 3,7,11-trimethyl-, trihydrogen pyrophosphate
Diphosphoric acid, P-(3,7,11-trimethyl-2,6,10-dodecatrienyl) ester
2,6,10-Dodecatrien-1-ol, 3,7,11-trimethyl-(farnesol), trihydrogen pyrophosphate, trans,trans-
Microorganism:

Yes

IUPAC namephosphono [(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] hydrogen phosphate
SMILESCC(=CCCC(=CCCC(=CCOP(=O)(O)OP(=O)(O)O)C)C)C
InchiInChI=1S/C15H28O7P2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-21-24(19,20)22-23(16,17)18/h7,9,11H,5-6,8,10,12H2,1-4H3,(H,19,20)(H2,16,17,18)/b14-9+,15-11+
FormulaC15H28O7P2
PubChem ID445713
Molweight382.33
LogP2.6
Atoms24
Bonds11
H-bond Acceptor7
H-bond Donor3
Chemical Classificationterpenes phosphorus compounds
CHEBI-ID17407
Supernatural-IDSN0401771-02

mVOC Specific Details


Species emitting the compound
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaStreptomyces Coelicolorn/an/ano
ProkaryotaMyxococcus Xanthusn/an/ano
ProkaryotaStigmatella Aurantiacan/an/ano
ProkaryotaStreptomyces Sp.n/an/ano
ProkaryotaMyxobacterium Sp.n/an/ano


Trimethylsilyl 2-bis(trimethylsilyloxy)phosphorylacetate

Compound Details

Synonymous names
53044-27-2
BHJOIVXJMQHKIY-UHFFFAOYSA-N
Acetic acid, [bis[(trimethylsilyl)oxy]phosphinyl]-, trimethylsilyl ester
Phosphonoacetic Acid, 3TMS derivative
DB-310756
Trimethylsilyl (bis[(trimethylsilyl)oxy]phosphoryl)acetate #
[Bis[(trimethylsilyl)oxy]phosphinyl ]acetic acid trimethylsilyl ester
Microorganism:

Yes

IUPAC nametrimethylsilyl 2-bis(trimethylsilyloxy)phosphorylacetate
SMILESC[Si](C)(C)OC(=O)CP(=O)(O[Si](C)(C)C)O[Si](C)(C)C
InchiInChI=1S/C11H29O5PSi3/c1-18(2,3)14-11(12)10-17(13,15-19(4,5)6)16-20(7,8)9/h10H2,1-9H3
FormulaC11H29O5PSi3
PubChem ID631032
Molweight356.57
LogP0
Atoms20
Bonds8
H-bond Acceptor5
H-bond Donor0
Chemical Classificationorganosilicon compounds esters phosphorus compounds

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaRahnella Aquatilisisolate from the rhizosphere soil of a 28-year-old Pinus massoniana in Nanning, Guangxi; stored in the typical Culture Preservation Center of ChinaKong et al. 2020
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaRahnella AquatilisLB mediaHS-SPME/GC-MSyes


Diphenyl-sulfanyl-sulfanylidene-lambda5-phosphane

Compound Details

Synonymous names
Diphenylphosphinodithioic acid
1015-38-9
Diphenyldithiophosphonic acid
Diphenyldithiophosphinic acid
Phosphinodithioic acid, P,P-diphenyl-
Phosphinodithioic acid, diphenyl-
diphenyl-sulfanyl-sulfanylidene-lambda5-phosphane
Diphenylphosphinodithioic Acid (>90%)
Dithiodiphenylphosphinic acid
P,P-Diphenylphosphinodithioic Acid; Diphenyldithiophosphinic Acid; Diphenylphosphinodithioic Acid; Dithiodiphenylphosphinic Acid;
SCHEMBL454858
Bis(phenyl)phosphinodithioic acid
P,P-Diphenylphosphinodithioic acid
DTXSID701296960
BAA01538
BBL000037
MFCD00014457
STK325716
AKOS005433558
diphenyl(sulfanyl)-|E?-phosphanethione
diphenyl-sulfanyl-sulfanylidenephosphorane
diphenyl(sulfanyl)-lambda5-phosphanethione
Diphenyl-sulfanyl-thioxo-lambda5-phosphane
CS-0270198
DIPHENYL(SULFANYL)-??-PHOSPHANETHIONE
EN300-92964
E77869
Microorganism:

No

IUPAC namediphenyl-sulfanyl-sulfanylidene-lambda5-phosphane
SMILESC1=CC=C(C=C1)P(=S)(C2=CC=CC=C2)S
InchiInChI=1S/C12H11PS2/c14-13(15,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H,14,15)
FormulaC12H11PS2
PubChem ID129564
Molweight250.3
LogP4.7
Atoms15
Bonds2
H-bond Acceptor2
H-bond Donor1
Chemical Classificationaromatic compounds benzenoids phosphorus compounds sulfur compounds

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
Aspergillus NigerKate et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
Aspergillus Nigerinoculated potato samplesGC-MSno


1-diethoxyphosphoryl-2-methylbenzene

Compound Details

Synonymous names
diethyl o-tolylphosphonate
15286-11-0
Phosphonic acid, tolyl-, diethyl ester
o-Tolyl-phosphonic acid diethyl ester
1-diethoxyphosphoryl-2-methylbenzene
28652-46-2
MFCD00015668
Tolylphosphonic acid diethyl ester
Diethyl 2-Methylphenyl phosphonate
SCHEMBL3890445
diethyl 2-methylphenylphosphonate
DTXSID90182809
XKEVSSUXQVVUNO-UHFFFAOYSA-N
1-diethoxyphosphoryl-2-methyl-benzene
AKOS030229705
O-TOLYL-PHOSPHONICACIDDIETHYLESTER
SY311370
Microorganism:

No

IUPAC name1-diethoxyphosphoryl-2-methylbenzene
SMILESCCOP(=O)(C1=CC=CC=C1C)OCC
InchiInChI=1S/C11H17O3P/c1-4-13-15(12,14-5-2)11-9-7-6-8-10(11)3/h6-9H,4-5H2,1-3H3
FormulaC11H17O3P
PubChem ID206739
Molweight228.22
LogP2.1
Atoms15
Bonds5
H-bond Acceptor3
H-bond Donor0
Chemical Classificationaromatic compounds benzenoids phosphorus compounds

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
Aspergillus FlavusKate et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
Aspergillus Flavusinoculated potato samplesGC-MSno


Ethenyl(2-hydroxyethoxy)phosphinic Acid

Compound Details

Synonymous names
2-Hydroxyethyl hydrogen vinylphosphonate
SCHEMBL11720951
MBQQJTQQURWOGN-UHFFFAOYSA-N
Microorganism:

No

IUPAC nameethenyl(2-hydroxyethoxy)phosphinic acid
SMILESC=CP(=O)(O)OCCO
InchiInChI=1S/C4H9O4P/c1-2-9(6,7)8-4-3-5/h2,5H,1,3-4H2,(H,6,7)
FormulaC4H9O4P
PubChem ID564181
Molweight152.09
LogP-1.3
Atoms9
Bonds4
H-bond Acceptor4
H-bond Donor2
Chemical Classificationalcohols phosphorus compounds

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
Aspergillus FlavusKate et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
Aspergillus Flavusinoculated potato samplesGC-MSno


N,N'-bis(2,2,3,4,4-pentamethyl-1-oxo-1lambda5-phosphetan-1-yl)ethane-1,2-diamine

Compound Details

Synonymous names
1,2-Ethanediamine, N,N'-bis(2,2,3,4,4-pentamethyl-1-phosphetanyl)-, P,P'-dioxide
IWTWTQLAFRJASC-UHFFFAOYSA-N
Microorganism:

No

IUPAC nameN,N'-bis(2,2,3,4,4-pentamethyl-1-oxo-1lambda5-phosphetan-1-yl)ethane-1,2-diamine
SMILESCC1C(P(=O)(C1(C)C)NCCNP2(=O)C(C(C2(C)C)C)(C)C)(C)C
InchiInChI=1S/C18H38N2O2P2/c1-13-15(3,4)23(21,16(13,5)6)19-11-12-20-24(22)17(7,8)14(2)18(24,9)10/h13-14H,11-12H2,1-10H3,(H,19,21)(H,20,22)
FormulaC18H38N2O2P2
PubChem ID590398
Molweight376.5
LogP1.7
Atoms24
Bonds5
H-bond Acceptor4
H-bond Donor2
Chemical Classificationnitrogen compounds phosphorus compounds

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
Aspergillus NigerKate et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
Aspergillus Nigerinoculated potato samplesGC-MSno


2,2,4,4-tetrachloro-6-methyl-6-phenyl-1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-1,3,5-triene

Compound Details

Synonymous names
1-Methyl-1-phenyltetrachlorocyclotriphosphazene
GVHQEZFILGJLRA-UHFFFAOYSA-N
2,2,4,4-Tetrachloro-6-methyl-6-phenyl-2I>>5,4I>>5,6I>>5-[1,3,5,2,4,6]triazatriphosphinine
Microorganism:

Yes

IUPAC name2,2,4,4-tetrachloro-6-methyl-6-phenyl-1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-1,3,5-triene
SMILESCP1(=NP(=NP(=N1)(Cl)Cl)(Cl)Cl)C2=CC=CC=C2
InchiInChI=1S/C7H8Cl4N3P3/c1-15(7-5-3-2-4-6-7)12-16(8,9)14-17(10,11)13-15/h2-6H,1H3
FormulaC7H8Cl4N3P3
PubChem ID631933
Molweight368.9
LogP5.3
Atoms17
Bonds1
H-bond Acceptor3
H-bond Donor0
Chemical Classificationchlorides halogenated compounds nitrogen compounds phosphazenes phosphorus compounds

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
Pectobacterium CarotovorumKate et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
Pectobacterium Carotovoruminoculated potato samplesGC-MSno


Dimethoxy(oxo)phosphanium

Compound Details

Synonymous names
Dimethyl phosphonate
Dimethyl phosphite
868-85-9
Phosphonic acid, dimethyl ester
Dimethylfosfit
Dimethylfosfonat
Dimethyl acid phosphite
Dimethoxyphosphine oxide
dimethoxy(oxo)phosphanium
Hydrogen dimethyl phosphite
Dimethyl hydrogen phosphonate
phosphonic acid dimethyl ester
Methyl phosphonate ((MeO)2HPO)
NCI-C54773
Phosphinyl radical, dimethoxy-
Dimethylester kyseliny fosforite
DTXSID5020493
31682-64-1
ST4TBO000H
Phosphorous acid dimethyl ester
CHEBI:82454
DTXCID10493
Dimethylfosfit [Czech]
Dimethylhydrogenphosphite
Dimethylfosfonat [Czech]
Dimethylphosphonate
CAS-868-85-9
CCRIS 1354
Bis(hydroxymethyl)phosphine oxide
HSDB 2593
Phosphinyl, dimethoxy-
EINECS 212-783-8
UNII-ST4TBO000H
Dimethylester kyselini fosforite [Czech]
Dimethylester kyseliny fosforite [Czech]
C2H7O3P
Dimethylester kyselini fosforite
dimethoxy-oxo-phosphanium
Dimethoxyphosphinylradical
dimethyl hydrogenphosphite
O,O-Dimethyl phosphonate
Dimethyl phosphite, 98%
EC 212-783-8
(CH3O)2PHO
SCHEMBL29591
CHEMBL3183964
YLFBFPXKTIQSSY-UHFFFAOYSA-
Dimethyl ester of phosphonic acid
DTXSID10953634
CHEBI:230736
YLFBFPXKTIQSSY-UHFFFAOYSA-N
Tox21_201901
Tox21_302799
MFCD00044633
AKOS015913497
AKOS024390908
NCGC00256338-01
NCGC00259450-01
BP-21149
DIMETHYL HYDROGEN PHOSPHITE [HSDB]
DIMETHYL HYDROGEN PHOSPHITE [IARC]
DB-056959
D0786
Dimethyl phosphite, purum, >=98.0% (GC)
NS00043025
C19406
Q1225746
InChI=1/C2H6O3P/c1-4-6(3)5-2/h1-2H3/q+1
Microorganism:

Yes

IUPAC namedimethoxy(oxo)phosphanium
SMILESCO[P+](=O)OC
InchiInChI=1S/C2H6O3P/c1-4-6(3)5-2/h1-2H3/q+1
FormulaC2H6O3P+
PubChem ID6327114
Molweight109.04
LogP0
Atoms6
Bonds2
H-bond Acceptor3
H-bond Donor0
Chemical Classificationphosphorus compounds
CHEBI-ID230736

mVOC Specific Details

Boiling Point
DegreeReference
170.5 NA peer reviewed
Volatilization
Volatilization from moist soils and water surfaces is not expected to be an important fate process(SRC) due to the rapid hydrolysis of dimethyl hydrogen phosphite(1-4). Dimethyl hydrogen phosphite is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 11.2 mm Hg(1).
Soil Adsorption
Adsorption to soils or suspended solids is not expected to be an important fate process(SRC) due to the hydrolysis of dimethyl hydrogen phosphite(1-4).
Vapor Pressure
PressureReference
4.52

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
Pectobacterium CarotovorumKate et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
Pectobacterium Carotovoruminoculated potato samplesGC-MSno


1-cyclohepta-1,3,5-trien-1-ylcyclohepta-1,3,5-triene;dicyclohexyl(2-dicyclohexylphosphaniumylethyl)phosphanium;nickel(2+)

Compound Details

Synonymous names
ZHYYESLDYIVEEE-UHFFFAOYSA-N
Bis(dicyclohexylphosphino)ethane-13-nickelatricyclo[4.4.1.1(7,12)]pentadeca-1,3,5,7,9,11-hexaene
Microorganism:

No

IUPAC name1-cyclohepta-1,3,5-trien-1-ylcyclohepta-1,3,5-triene;dicyclohexyl(2-dicyclohexylphosphaniumylethyl)phosphanium;nickel(2+)
SMILESC1CCC(CC1)[PH+](CC[PH+](C2CCCCC2)C3CCCCC3)C4CCCCC4.C1[C-]=CC=CC=C1C2=CC=CC=[C-]C2.[Ni+2]
InchiInChI=1S/C26H48P2.C14H12.Ni/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26;1-2-6-10-13(9-5-1)14-11-7-3-4-8-12-14;/h23-26
FormulaC40H62NiP2+2
PubChem ID6329497
Molweight663.6
LogP0
Atoms43
Bonds4
H-bond Acceptor2
H-bond Donor0
Chemical Classificationphosphorus compounds

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
Aspergillus NigerKate et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
Aspergillus Nigerinoculated potato samplesGC-MSno