Results for:
chemical Classification: cyclic ethers

Oxolane

Compound Details

Synonymous names
TETRAHYDROFURAN
109-99-9
Oxolane
Furanidine
Furan, tetrahydro-
Butylene oxide
Hydrofuran
Tetramethylene oxide
Oxacyclopentane
1,4-Epoxybutane
Tetrahydrofuranne
Tetraidrofurano
Tetrahydrofuraan
Tetrahydrofurane
Cyclotetramethylene oxide
THF
tetrahydro-furan
Butane, 1,4-epoxy-
Cyclotetramethylene
RCRA waste number U213
24979-97-3
NCI-C60560
NSC 57858
Butane .alpha.,.delta.-oxide
Butane alpha,delta-oxide
3N8FZZ6PY4
DTXSID1021328
CHEBI:26911
MFCD00005356
NSC-57858
Tetrahydrofuran, anhydrous
Agrisynth THF
tetrahydofurane
Tetrahydrofuraan [Dutch]
Tetraidrofurano [Italian]
Butane, alpha,delta-oxide
Tetrahydrofuranne [French]
Tetrahydrofuran, Spectrophotometric Grade
CCRIS 6276
HSDB 125
EINECS 203-726-8
UN2056
RCRA waste no. U213
Tetrahydrofuran(Stabilized)
UNII-3N8FZZ6PY4
terahydrofuran
terahydrofurane
terahyrofuran
tetrahydofuran
tetrahydorfuran
tetrahyrdofuran
tetrahyrofuran
tetraliydrofuran
tetra hydrofuran
tetra-hydrofuran
tetrahy-drofuran
tetrahydro furan
tetrahydrof uran
tetrahydrofu ran
tetrahydrofura n
tetrahydrofuran-
AI3-07570
tet-rahydrofurane
tetra-hydrofurane
tetrahydro furane
tetrahydro-furane
tetrahydrofurane-
Tetrahydrofuran, contains 250 ppm BHT as inhibitor, ACS reagent, >=99.0%
tetra hydro-furan
tetra- hydrofuran
tetrahydro- furan
Butane a,d-oxide
Butane,4-epoxy-
Dynasolve 150
Tetrahydrofuran ACS
1,4-epoxy-Butane
c0019
tetrahydrofuran solvent
THF (tetrahydrofuran)
Tetrahydrofuran, 99%
Tetrahydrofuran, Biograde
WLN: T5OTJ
EC 203-726-8
TETRAHYDROFURAN [MI]
Tetrahydrofuran Ultra LC-MS
Tetrahydrofuran, ACS reagent
Tetrahydrofuran, >=99.5%
TETRAHYDROFURAN [HSDB]
TETRAHYDROFURAN [IARC]
Tetrahydrofuran, p.a., 99%
CHEMBL276521
DTXCID501328
TETRAHYDROFURAN [USP-RS]
Diethylene oxide 1,4-Epoxybutane
Tetrahydrofuran, UV, HPLC Grade
AMY11079
NSC57858
Tetrahydrofuran, analytical standard
Tox21_201026
STL264218
AKOS000119982
MCULE-3873245085
UN 2056
Tetrahydrofuran, for HPLC, >=99.9%
NCGC00090740-01
NCGC00090740-02
NCGC00258579-01
BP-30232
CAS-109-99-9
Tetrahydrofuran, anhydrous, inhibitor free
Tetrahydrofuran, purum, >=99.0% (GC)
DB-038044
NS00009145
T0104
T0856
T2394
EN300-21322
Tetrahydrofuran, SAJ first grade, >=99.0%
Tetrahydrofuran, Selectophore(TM), >=99.5%
Tetrahydrofuran [UN2056] [Flammable liquid]
Tetrahydrofuran HPLC grade stabilized with BHT
Tetrahydrofuran, JIS special grade, >=99.5%
Tetrahydrofuran, HPLC grade stabilized with BHT
A802124
InChI=1/C4H8O/c1-2-4-5-3-1/h1-4H
Q278332
Tetrahydrofuran, for HPLC, contains No stabilizer
Tetrahydrofuran, inhibitor-free, purification grade
Tetrahydrofuran, puriss. p.a., >=99.9% (GC)
J-002358
Tetrahydrofuran, for luminescence, >=99.5% (GC)
Tetrahydrofuran, inhibitor-free, for HPLC, =99.9%
Tetrahydrofuran, anhydrous, >=99.9%, inhibitor-free
Tetrahydrofuran, for HPLC, >=99.9%, inhibitor-free
Tetrahydrofuran, inhibitor-free, for HPLC, >=99.9%
Tetrahydrofuran, anhydrous stabilized, Max. water 20ppm
Tetrahydrofuran, anhydrous stabilized, Max. water 25ppm
Tetrahydrofuran, HPLC grade, >=99.9%, inhibitor-free
Tetrahydrofuran, non-UV, HPLC grade stabilized with BHT
Tetrahydrofuran, biotech. grade, >=99.9%, Inhibitor-free
Tetrahydrofuran, for amino acid analysis, without stabilizer
Tetrahydrofuran, p.a., 99%, contains 200-300 ppm BHT
Tetrahydrofuran, HPLC, UV-IR, isocratic grade, unstabilized
Tetrahydrofuran, anhydrous, inhibitor-free, ZerO2(TM), >=99.9%
Tetrahydrofuran, AR, contains 250 ppm BHT as stabilizer, 99.5%
Tetrahydrofuran, LR, contains 250 ppm BHT as stabilizer, >=99%
Tetrahydrofuran, spectrophotometric grade, >=99.5%, inhibitor-free
Tetrahydrofuran, ACS reagent, >=99.0%, contains 250 ppm BHT as inhibitor
Tetrahydrofuran, anhydrous, >=99.9%, contains 250 ppm BHT as inhibitor
Tetrahydrofuran, anhydrous, contains 250 ppm BHT as inhibitor, >=99.9%
Tetrahydrofuran, anhydrous, contains 250 ppm BHT as stabilizer, >=99.5%
Tetrahydrofuran, UV HPLC spectroscopic, 99.8%, contains 200-300 ppm BHT
Tetrahydrofuran, Pharmaceutical Secondary Standard; Certified Reference Material
Tetrahydrofuran, ReagentPlus(R), >=99.0%, contains 250 ppm BHT as inhibitor
Tetrahydrofuran, absolute, over molecular sieve (H2O <=0.005%), contains ~0.025% 2,6-di-tert-butyl-4-methylphenol as stabilizer, >=99.5% (GC)
Tetrahydrofuran, contains 250 ppm BHT as inhibitor, puriss. p.a., ACS reagent, Reag. Ph. Eur., >=99.9%
Tetrahydrofuran, Vetec(TM) reagent grade, anhydrous, contains 100 ppm BHT as inhibitor, >=99.8%
Microorganism:

Yes

IUPAC nameoxolane
SMILESC1CCOC1
InchiInChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2
FormulaC4H8O
PubChem ID8028
Molweight72.11
LogP0.5
Atoms5
Bonds0
H-bond Acceptor1
H-bond Donor0
Chemical Classificationcyclic ethers heterocyclic compounds ethers
CHEBI-ID26911
Supernatural-IDSN0423682

mVOC Specific Details

Boiling Point
DegreeReference
65 °C peer reviewed
Volatilization
The Henry's Law constant for tetrahydrofuran is 7.05X10-5 atm-cu m/mole(1). This Henry's Law constant indicates that tetrahydrofuran 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 13 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 6.6 days(SRC). Tetrahydrofuran's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Tetrahydrofuran is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 162 mm Hg(3).
Soil Adsorption
Koc values of 23 and 18 were determined for tetrahydrofuran using a zero headspace extractor vessel in Captina silt loam (pH = 4.97, organic carbon = 1.49%) and McLaurin sandy loam (pH = 4.43, organic carbon = 0.66%), respectively(1). According to a classification scheme(2), these measured Koc values suggest that tetrahydrofuran is expected to have very high mobility in soil(SRC). A retardation factor of 1.0 was measured for tetrahydrofuran in a ground water system in Indiana(3). A retardation factor of 2.2, based on plume length, was measured for tetrahydrofuran in an aquifer beneath a landfill in Ottawa, Ontario, Canada(4). A column packed with aquifer material was used to measure a retardation factor of 1.2 for tetrahydrofuran(5).
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaPseudomonas AeruginosaNANADavis et al. 2020
EukaryotaLentinula EdodesGeng et al. 2024
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaPseudomonas AeruginosaLB brothSPME/GCxGC-MSno
EukaryotaLentinula EdodesJiuqu (traditional wheat Qu)GC-IMSno


Compound Details

Synonymous names
Oxirane
ETHYLENE OXIDE
75-21-8
Epoxyethane
1,2-Epoxyethane
Oxacyclopropane
Dihydrooxirene
Oxidoethane
Oxyfume
Ethene oxide
Dimethylene oxide
Amprolene
Anprolene
Anproline
Aethylenoxid
1,2-Epoxyaethan
Merpol
Oxiran
Oxyfume 12
T-Gas
Oxirene, Dihydro-
Ethyleenoxide
Oxiraan
Ethox
Etylenu tlenek
FEMA No. 2433
oxyde d'ethylene
Rcra waste number U115
Caswell No. 443
Qazi-ketcham
ETO
NCI-C50088
Etilene (ossido di)
alpha,beta-Oxidoethane
CCRIS 297
Ethylene (oxyde d')
ENT-26263
ethyleneoxy
HSDB 170
UN 1040
CHEBI:27561
Oxiranyl radical
UNII-JJH7GNN18P
JJH7GNN18P
EINECS 200-849-9
EPA Pesticide Chemical Code 042301
E.O.
AI3-26263
CIBA-GEIGY 9138
DTXSID0020600
EC 200-849-9
epoxide or oxirane
Sterilizing gas ethylene oxide 100%
Oxirane; Ethylene oxide
Oxiraan [Dutch]
ETHYLENE OXIDE (IARC)
ETHYLENE OXIDE [IARC]
ETHYLENE OXIDE (MART.)
ETHYLENE OXIDE [MART.]
Aethylenoxid [German]
Ethyleenoxide [Dutch]
ethyleneoxide
ethylenoxide
Etylenu tlenek [Polish]
Oxide, Ethylene
1,2-Epoxyaethan [German]
1,2-Epoxy ethane
Ethylene (oxyde d') [French]
Ethylene Oxide 1000 microg/mL in Triacetin
Etilene (ossido di) [Italian]
UN1040
RCRA waste no. U115
monooxirane
Oxiranyl
ethylene-oxide
epoxy ethane
Caswell no 443
Fema no 2433
Epitope ID:116215
.alpha.,.beta.-Oxidoethane
ETHYLENE OXIDE [MI]
DTXCID60600
ETHYLENE OXIDE [FHFI]
ETHYLENE OXIDE [HSDB]
Ethylene oxide, >=99.5%
Ethylene oxide, >=99.9%
ALPHA, BETA-OXIDOETHANE
CHEMBL1743219
ETHYLENE OXIDE [WHO-DD]
DTXSID30185475
Ethylene oxide, purum, >=99.8%
c0527
MFCD00014482
AKOS009031564
USEPA/OPP Pesticide Code: 042301
E0647
E0689
E0690
E0692
E0693
InChI=1/C2H4O/c1-2-3-1/h1-2H
NS00005032
C06548
D03474
Q407473
Ethylene oxide 50000 microg/mL in Dichloromethane
Ethylene oxide 10000 microg/mL in Dimethylsulfoxide
E O
Ethylene oxide, or ethlene oxide with nitrogen up to a total pressure of 1Mpa (10 bar) at 50 degrees C
Ethylene oxide, or ethlene oxide with nitrogen up to a total pressure of 1Mpa (10 bar) at 50 degrees C [UN1040] [Poison gas]
Microorganism:

Yes

IUPAC nameoxirane
SMILESC1CO1
InchiInChI=1S/C2H4O/c1-2-3-1/h1-2H2
FormulaC2H4O
PubChem ID6354
Molweight44.05
LogP-0.1
Atoms3
Bonds0
H-bond Acceptor1
H-bond Donor0
Chemical Classificationcyclic ethers epoxides heterocyclic compounds ethers
CHEBI-ID27561
Supernatural-IDSN0140791

mVOC Specific Details

Boiling Point
DegreeReference
10.6 °C peer reviewed
Volatilization
The Henry's Law constant for ethylene oxide is 1.48X10-4 atm-cu m/mole(1). This Henry's Law constant indicates that ethylene oxide 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 6 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 4 days(SRC). Ethylene oxide is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 1.31X10+3 mm Hg(3). Although no data on the volatilization of ethylene oxide from soil could be found, a study of the dissipation of ethylene oxide from fumigated commodities gave half-life values of 4 hr to 17.5 days(4).
Literature: (1) Conway RA et al; Environ Sci Technol 17:107-112 (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) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, DC: Taylor and Francis (1985) (4) Bogyo DA et al; Investigations of Selected Potential Environmental Contaminants: Epoxides. USEPA-560/11-80-005 p. 70-90 (1980)
Soil Adsorption
Koc of ethylene oxide was reported to be 2.20(1). According to a classification scheme(2), this estimated Koc value suggests that ethylene oxide is expected to have very high mobility in soil(SRC).
Literature: (1) Chu W, Chan KH; Sci Total Environ 248: 1-10 (2000) (2) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
1,310 mm Hg at 25 deg C (extrapolated)Daubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaBacillus Toyonensisisolate from Irish potato soilsHeenan-Daly et al. 2021
EukaryotaPleurotus Ostreatusnawidespread in many temperate and subtropical forests throughout the world, saprobeLo Cantore et al. 2015
ProkaryotaMicrobacteriumBallot et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaBacillus ToyonensisTSB mediaSPME/GC-MSno
EukaryotaPleurotus OstreatusMEASPME-GCno
ProkaryotaMicrobacteriumtryptone soy (TS medium; Carl Roth, Karlsruhe, Germany)GC-QQQ-MSno


5-prop-2-enyl-1,3-benzodioxole

Mass-Spectra

Compound Details

Synonymous names
safrole
94-59-7
Safrol
5-Allyl-1,3-benzodioxole
Shikimole
Shikomol
Sassafras
Safrene
Safrole MF
Shikimol
1,3-Benzodioxole, 5-(2-propenyl)-
Allylcatechol methylene ether
5-(2-Propenyl)-1,3-benzodioxole
m-Allylpyrocatechin methylene ether
4-Allyl-1,2-methylenedioxybenzene
Allylpyrocatechol methylene ether
3,4-(Methylenedioxy)allylbenzene
4-Allylpyrocatechol formaldehyde acetal
5-prop-2-enyl-1,3-benzodioxole
1-Allyl-3,4-methylenedioxybenzene
Allyldioxybenzene methylene ether
RCRA waste number U203
Caswell No. 729
1,2-Methylenedioxy-4-allylbenzene
Benzene, 4-allyl-1,2-(methylenedioxy)-
1,3-Benzodioxole, 5-allyl-
CCRIS 553
NSC 11831
Benzene, 1,2-methylenedioxy-4-allyl-
HSDB 2653
EINECS 202-345-4
EPA Pesticide Chemical Code 097901
UNII-RSB34337V9
BRN 0136380
CHEBI:8994
3,4-methylenedioxy-allylbenzene
3-(3,4-Methylenedioxyphenyl)prop-1-ene
DTXSID0021254
AI3-00514
RSB34337V9
NSC-11831
4-Allyl-1,2-(methylenedioxy)benzene
DTXCID601254
(Allyldioxy)benzene methylene ether
5-19-01-00553 (Beilstein Handbook Reference)
NSC11831
1,2-methylenedioxy-4-allyl-Benzene
1-Allyl-3,4-(methylenedioxy)benzene
(1,2-(Methylenedioxy)-4-allyl)benzene
M-ALLYL PYROCATECHINMETHYLENE ETHER
SAFROLE (IARC)
SAFROLE [IARC]
1,3-Benzodioxole, 5-(2-propen-1-yl)-
3-[(3,4-Methylenedioxy)phenyl]-1-propene
5-(prop-2-en-1-yl)-2H-1,3-benzodioxole
SAFROLE (USP-RS)
SAFROLE [USP-RS]
5-allyl-benzo(1,3)dioxole
5-allyl-benzo[1,3]dioxole
Safroles
Safrols
CAS-94-59-7
[1,2-(Methylenedioxy)-4-allyl]benzene
RCRA waste no. U203
Safrol glass
5-allylbenzo[d][1,3]dioxole
4 Allyl 1,2 methylenedioxybenzene
4-Allyl-1,2-methylenedioxybenzenes
Alda-89
Spectrum_001446
Safrole, >=97%
1, 5-allyl-
SAFROLE [MI]
Spectrum2_000775
Spectrum3_001105
Spectrum4_001939
Spectrum5_000843
5-Allylbenzo[1,3]dioxole
1, 5-(2-propenyl)-
5-allyl-benzo-1,3-dioxole
SCHEMBL56828
BSPBio_002810
KBioGR_002319
KBioSS_001926
MLS001056251
DivK1c_001022
SPECTRUM1503620
SPBio_000850
3,4-Methylenedioxy-allybenzene
Safrole, 10mg/ml in Methanol
CHEMBL242273
5-?Allyl-?1,3-?benzodioxole
SCHEMBL13045858
HMS503M05
KBio1_001022
KBio2_001926
KBio2_004494
KBio2_007062
KBio3_002030
NINDS_001022
HMS1922E22
NCI-C00362
3, 4-(Methylenedioxy)allylbenzene
1-Allyl,3,4-methylenedioxy benzene
Tox21_202439
Tox21_300520
MFCD00005841
1,2-(Methylenedioxy)-4-allylbenzene
WLN: T56 BO DO CHJ G2U1
(E)5-1-Propenyl]-1,3-benzodioxole
AKOS016017163
1, 2-(Methylenedioxy)-4-allylbenzene
4-?Allyl-?1,2-?methylenedioxybenzene
4-Allyl-1, 2-(methylenedioxy)benzene
5-Allyl-1,3-benzodioxolerlet DS Base
CCG-214763
FS-3451
SDCCGMLS-0066708.P001
3-(3,4-methylendioxyphenyl)-1-propene
5-(2-propen-1-yl)-1,3-benzodioxole
IDI1_001022
USEPA/OPP Pesticide Code: 097901
NCGC00091122-01
NCGC00091122-02
NCGC00091122-03
NCGC00091122-04
NCGC00091122-05
NCGC00091122-06
NCGC00091122-07
NCGC00254416-01
NCGC00259988-01
AC-34312
SMR001216599
5-(2-Propenyl)-1,3-benzodioxole, 9CI
4-Allyl-1,2-(methylenedioxy)benzene, 8CI
DB-057512
NS00017606
Q412424
SR-05000002392
Safrole, certified reference material, TraceCERT(R)
SR-05000002392-1
BENZENE,1-ALLYL,3,4-METHYLENEDIOXY SAFROLE
4-Allyl-1,2-methylenedioxybenzene; 5-Prop-2-enyl-1,3-benzodioxole
InChI=1/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2,4-6H,1,3,7H
Microorganism:

No

IUPAC name5-prop-2-enyl-1,3-benzodioxole
SMILESC=CCC1=CC2=C(C=C1)OCO2
InchiInChI=1S/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2,4-6H,1,3,7H2
FormulaC10H10O2
PubChem ID5144
Molweight162.18
LogP3
Atoms12
Bonds2
H-bond Acceptor2
H-bond Donor0
Chemical Classificationaromatic compounds benzenoids ethers heterocyclic compounds cyclic ethers phenylpropenes
CHEBI-ID8994
Supernatural-IDSN0474521

mVOC Specific Details

Boiling Point
DegreeReference
235 °C peer reviewed
Volatilization
The Henry's Law constant for safrole is estimated as 9.1X10-6 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that safrole 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 5.3 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 42 days(SRC). Safrole's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Safrole is not expected to volatilize from dry soil surfaces(SRC) based upon an extrapolated vapor pressure of 0.0706 mm Hg(3).
Literature: (1) Meylan WM, Howard PH; Environ Toxicol Chem 10: 1283-93 (1991) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Ohe S; Computer Aided Data Book of Vapor Pressure. Data Book Publ. Co., Tokyo, Japan (1976)
Soil Adsorption
Using a structure estimation method based on molecular connectivity indices(1), the Koc for safrole can be estimated to be 300(SRC). According to a classification scheme(2), this estimated Koc value suggests that safrole is expected to have moderate mobility in soil.
Literature: (1) Meylan WM et al; Environ Sci Technol 26: 1560-67 (1992) (2) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
0.0706 mm Hg at 25 deg C /Extrapolated/Ohe S; Computer Aided Data Book of Vapor Pressure. Data Book Publ. Co., Tokyo, Japan (1976)
MS-Links
1D-NMR-Links
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaAntrodia CinnamomeananaLu et al. 2014
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaAntrodia CinnamomeaPDAGC/MSyes