Results for:
chemical Classification: Oxides

Mass-Spectra

Compound Details

Synonymous names

carbon dioxide

carbonic anhydride

Dry ice

124-38-9

carbonic acid gas

Carbonic acid anhydride

Carbonica

Kohlendioxyd

Kohlensaure

Khladon 744

After-damp

AER Fixus

Anhydride carbonique

Carbon oxide, di-

methanedione

CO2

Caswell No. 163

HSDB 516

Dioxido de carbono

Dioxyde de carbone

dioxidocarbon

R 744

Dioxomethane

Cardice

Drikold

EINECS 204-696-9

UN1013

UN1845

UN2187

Carbon-12 dioxide

EPA Pesticide Chemical Code 016601

INS NO.290

UNII-142M471B3J

CHEBI:16526

Carbon oxide (CO2)

Dry ice (solid form)

Carbon dioxide [USP]

INS-290

E-290

142M471B3J

E290

DTXSID4027028

Carbon dioxide (USP)

E 290

CARBON DIOXIDE (II)

CARBON DIOXIDE [II]

18923-20-1

CARBON DIOXIDE (MART.)

CARBON DIOXIDE [MART.]

Kohlensaure [German]

Kohlendioxyd [German]

(CO2)

[CO2]

CARBON DIOXIDE (EP IMPURITY)

CARBON DIOXIDE [EP IMPURITY]

CARBON DIOXIDE (EP MONOGRAPH)

CARBON DIOXIDE [EP MONOGRAPH]

Dioxide, Carbon

CARBON DIOXIDE (USP MONOGRAPH)

CARBON DIOXIDE [USP MONOGRAPH]

Dioxyde de carbone [French]

Anhydride, Carbonic

Dioxido de carbono [Spanish]

Anhydride carbonique [French]

18983-82-9

carbondioxide

epoxyketone

Dricold

carbon dioxid

dry-ice

Dioxomethane #

methane, dioxo-

Carbon dioxide, refrigerated liquid

Carbonic acid, gas

Makr carbon dioxide

Dry ice .

Carbon dioxide (TN)

CARBON-DIOXIDE

Carbon Dioxide Refrigerated

CARBON DIOXIDE [MI]

CARBON DIOXIDE [FCC]

CARBON DIOXIDE [JAN]

Carbon dioxide (JP17/USP)

CARBON DIOXIDE [HSDB]

CARBON DIOXIDE [INCI]

Carbon dioxide, >=99.8%

CARBON DIOXIDE [VANDF]

DTXCID507028

CARBON DIOXIDE [WHO-DD]

CHEMBL1231871

BDBM10856

CARBON DIOXIDE, COMPRESSED

Carbon dioxide, solid or dry ice

CARBON DIOXIDE [GREEN BOOK]

Carbonic dioxide (Refrigerated liquid)

DB09157

UN 1013

UN 1845

UN 2187

USEPA/OPP Pesticide Code: 016601

Carbon dioxide, puriss., >=99.998%

NS00076302

Q1997

R-744

C00011

Carbon dioxide [UN1013] [Nonflammable gas]

Carbon dioxide, Messer(R) CANgas, 99.995%

D00004

Carbon dioxide, solid or dry ice [UN1845] [Class 9]

Carbon dioxide (99.8%), cylinder of 14 L, analytical standard

Carbon dioxide (99.8%), cylinder of 48 L, analytical standard

Carbon dioxide, refrigerated liquid [UN2187] [Nonflammable gas]

Microorganism:

Yes

IUPAC name

SMILES

C(=O)=O

Inchi

InChI=1S/CO2/c2-1-3

Formula

CO₂

PubChem ID

280

Molweight

44.009

LogP

0.9

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

other organic compounds Oxides

CHEBI-ID

16526

Supernatural-ID

SN0056092

mVOC Specific Details

Boiling Point

Degree	Reference
-78.464 °C peer reviewed

Vapor Pressure

Pressure	Reference
4.83X10+4 mm Hg at 25 deg C	Daubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.

MS-Links

Massbank-Links

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP001576

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Eukaryota	Aspergillus Fumigatus	NA	NA	Heddergott et al. 2014
Eukaryota	Malassezia Globosa		Fungal Biodiversity Center (WesterdijkInstitute, Utrecht, The Netherlands)	Rios-Navarro et al. 2023
Eukaryota	Malassezia Restricta		Fungal Biodiversity Center (WesterdijkInstitute, Utrecht, The Netherlands)	Rios-Navarro et al. 2023
Eukaryota	Malassezia Sympodialis		Fungal Biodiversity Center (WesterdijkInstitute, Utrecht, The Netherlands)	Rios-Navarro et al. 2023
Eukaryota	Tuber Aestivum	None	None	March et al. 2006
Eukaryota	Tuber Brumale	None	None	March et al. 2006
Eukaryota	Tuber Melanosporum	None	None	March et al. 2006
Eukaryota	Tuber Mesentericum	None	None	March et al. 2006
Eukaryota	Tuber Rufum	None	None	March et al. 2006
	Meyerozyma Guilliermondii			Xiong et al. 2023
	Fusarium Graminearum			Ballot et al. 2023
	Microbacterium			Ballot et al. 2023

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Eukaryota	Aspergillus Fumigatus	Brian	SPME/GC-MS	no
Eukaryota	Malassezia Globosa	modified Dixon agar	HS-SPME/GC-MS	no
Eukaryota	Malassezia Restricta	modified Dixon agar	HS-SPME/GC-MS	no
Eukaryota	Malassezia Sympodialis	modified Dixon agar	HS-SPME/GC-MS	no
Eukaryota	Tuber Aestivum	None	Pressure balanced head-space sampling and GC/TOF-MS	no
Eukaryota	Tuber Brumale	None	Pressure balanced head-space sampling and GC/TOF-MS	no
Eukaryota	Tuber Melanosporum	None	Pressure balanced head-space sampling and GC/TOF-MS	no
Eukaryota	Tuber Mesentericum	None	Pressure balanced head-space sampling and GC/TOF-MS	no
Eukaryota	Tuber Rufum	None	Pressure balanced head-space sampling and GC/TOF-MS	no
	Meyerozyma Guilliermondii	YEPD, 10 g/L yeast extrac, 20 g/L peptone, 20 g dextrose	GC-MS and GC-IMS	no
	Fusarium Graminearum	tryptone soy (TS medium; Carl Roth, Karlsruhe, Germany)	GC-QQQ-MS	no
	Microbacterium	tryptone soy (TS medium; Carl Roth, Karlsruhe, Germany)	GC-QQQ-MS	no

Methylsulfinylmethane

Mass-Spectra

Compound Details

Synonymous names

dimethyl sulfoxide

DMSO

67-68-5

Methyl sulfoxide

Methylsulfinylmethane

Dimethylsulfoxide

Dimethyl sulphoxide

Methane, sulfinylbis-

Demasorb

Demsodrox

Demavet

Domoso

Infiltrina

Somipront

Dimexide

Dolicur

Dromisol

Durasorb

Syntexan

Deltan

Demeso

Hyadur

sulfinylbismethane

Dimethyl sulfur oxide

Doligur

Dipirartril-tropico

Gamasol 90

Sulfinylbis(methane)

Dermasorb

Kemsol

Dimethylsulphoxide

Rimso-50

Topsym

Dimethylsulfoxid

Dimethylsulfoxyde

SQ 9453

NSC-763

Rimso 50

Dimetil sulfoxido

Sulfinylbis-methane

Dimethyli sulfoxidum

Dimexidum

Caswell No. 381

(methylsulfinyl)methane

Dimetilsolfossido

(CH3)2SO

DMS-90

Sulfoxide, dimethyl

methanesulfinylmethane

A 10846

CCRIS 943

M 176

DMS 70

DMS 90

DMS-70

DTXSID2021735

NSC 763

Methyl sulphoxide

dimethyl-sulfoxide

S(O)Me2

EPA Pesticide Chemical Code 000177

SQ-9453

NSC763

YOW8V9698H

CHEBI:28262

AI3-26477

(methanesulfinyl)methane

MFCD00002089

(DMSO)

C2H6OS

CHEMBL504

Methane, 1,1'-sulfinylbis-

DTXCID401735

Dimethyl sulfoxide, HPLC Grade

METHYL-13C SULFOXIDE

Dimethylsulphinyl

Dimethyl sulfoxide, 99%

103759-08-6

Topsym (rescinded)

Rimso-5

Domoso (Veterinary)

DIMETHYL SULFOXIDE (II)

DIMETHYL SULFOXIDE [II]

methylsulfoxide

DIMETHYL SULFOXIDE (MART.)

DIMETHYL SULFOXIDE [MART.]

DIMETHYL SULFOXIDE (USP-RS)

DIMETHYL SULFOXIDE [USP-RS]

sulfinyldimethane

Dimetilsolfossido [DCIT]

Dimethyl sulpoxide

DIMETHYL SULFOXIDE (EP MONOGRAPH)

DIMETHYL SULFOXIDE [EP MONOGRAPH]

DIMETHYL SULFOXIDE (USP MONOGRAPH)

DIMETHYL SULFOXIDE [USP MONOGRAPH]

HSDB 80

Sulphoxide, Dimethyl

Dimethylsulfoxyde [INN-French]

Dimetil sulfoxido [INN-Spanish]

Dimethyli sulfoxidum [INN-Latin]

DMSO, sterile filtered

EINECS 200-664-3

UNII-YOW8V9698H

dimethysulfoxide

dimethlysulfoxide

dimethvlsulfoxide

dimethyisulfoxide

dimethylsulphoxid

Domoso Solution

dimethy sulfoxide

dimetyl sulfoxide

Domoso Gel

dimethyisulphoxide

dimethyl sulfoxyde

dimethyl-sulfoxyde

dimethyl suiphoxide

dimethyl-sulphoxide

dirnethyl sulfoxide

Dimethyl sulfoxixde

methylsulfmylmethane

DMSO (anydrous)

dimethyl sulf oxide

Dimethylis sulfoxidum

DIMEHTYLSULFOXYDE

Dimethyl sulfoxide [USAN:USP:INN:BAN]

Methyl sulfoxide (8CI)

Rimso-50 (TN)

dimethyl sulfoxide (dmso)

DMSO (Sterile-filtered)

DMSO [INCI]

DMSO (Dimethyl sulfoxide)

EC 200-664-3

H3C-SO-CH3

BIDD:PXR0182

Dimethyl sulfoxide, >=99%

Dimethyl sulfoxide, anhydrous

Dimethyl sulfoxide, for HPLC

Methane, sulfinylbis- (9CI)

WLN: OS1&1

DIMETHYL SULFOXIDE [MI]

DIMETHYL SULFOXIDE [INN]

DIMETHYL SULFOXIDE [JAN]

Dimethyl sulfoxide, >=99.5%

Dimethyl sulfoxide, PCR Reagent

DIMETHYL SULFOXIDE [HSDB]

DIMETHYL SULFOXIDE [USAN]

Dimethyl sulfoxide, ACS reagent

G04BX13

M02AX03

Methyl sulfoxide, >=99%, FG

Dimethyl sulfoxide, p.a., 99%

DIMETHYL SULFOXIDE [VANDF]

Dimethyl sulfoxide, LR, >=99%

Pharmakon1600-01506122

AMY14894

CS-B1637

Dimethyl sulfoxide (JAN/USP/INN)

DIMETHYL SULFOXIDE [WHO-DD]

HY-Y0320

METHYLSULFINYLMETHANE [FHFI]

Tox21_300957

BDBM50026472

HB3262

HB8591

NSC760436

STL264194

Dimethyl sulfoxide, AR, >=99.5%

AKOS000121107

CCG-213615

DB01093

DIMETHYL SULFOXIDE [GREEN BOOK]

Dimethyl sulfoxide, analytical standard

MCULE-2005841258

NSC-760436

CAS-67-68-5

DIMETHYL SULFOXIDE [ORANGE BOOK]

MRF-0000764

USEPA/OPP Pesticide Code: 000177

(methanesulfinyl)methanedimethyl sulfoxide

Dimethyl sulfoxide, for molecular biology

Dimethyl sulfoxide; AIF; CE0; MS2Dec

NCGC00163958-01

NCGC00163958-02

NCGC00163958-03

NCGC00254859-01

8070-53-9

Dimethyl sulfoxide, anhydrous, >=99.9%

Dimethyl sulfoxide, HPLC grade, 99.9%

Dimethyl Sulfoxide [for Spectrophotometry]

Dimethyl sulfoxide, for HPLC, >=99.5%

Dimethyl sulfoxide, for HPLC, >=99.7%

DS-015031

D0798

D1159

D5293

Dimethyl sulfoxide solution 50 wt.% in H2O

Dimethyl sulfoxide, ACS reagent, >=99.9%

Dimethyl sulfoxide, AldraSORB(TM), 99.8%

InChI=1/C2H6OS/c1-4(2)3/h1-2H

NS00001957

EN300-24544

D01043

Dimethyl sulfoxide, >=99.6%, ReagentPlus(R)

Dimethyl sulfoxide, ReagentPlus(R), >=99.5%

AB01563146_01

Dimethyl Sulfoxide (DMSO), cell culture reagent

Dimethyl sulfoxide, p.a., ACS reagent, 99.9%

Dimethyl sulfoxide, SAJ first grade, >=99.0%

Dimethyl sulfoxide, JIS special grade, >=99.0%

Dimethyl sulfoxide, Vetec(TM) reagent grade, 99%

Q407927

Dimethyl sulfoxide, UV HPLC spectroscopic, 99.9%

Dimethyl sulfoxide solution 50 wt.% in distilled H2O

Dimethyl sulfoxide, anhydrous, ZerO2(TM), >=99.9%

Dimethyl sulfoxide, meets EP, USP testing specifications

Z199055774

Dimethyl sulfoxide, ACS spectrophotometric grade, >=99.9%

Dimethyl sulfoxide, puriss. p.a., dried, <=0.02% water

4H-1,3-oxazine,2-cyclopentyl-5,6-dihydro-4,4,7-trimethyl-

Dimethyl sulfoxide, >=99.5% (GC), plant cell culture tested

Dimethyl sulfoxide, BioUltra, for molecular biology, >=99.5% (GC)

Dimethyl sulfoxide, European Pharmacopoeia (EP) Reference Standard

Dimethyl sulfoxide, puriss. p.a., ACS reagent, >=99.9% (GC)

Dimethyl sulfoxide, Vetec(TM) reagent grade, anhydrous, >=99.7%

Dimethyl sulfoxide, >=99.0%, suitable for absorption spectrum analysis

Dimethyl sulfoxide, United States Pharmacopeia (USP) Reference Standard

Dimethyl sulfoxide, for inorganic trace analysis, >=99.99995% (metals basis)

Dimethyl sulfoxide, meets EP testing specifications, meets USP testing specifications

Dimethyl sulfoxide, Hybri-Max(TM), sterile-filtered, BioReagent, suitable for hybridoma, >=99.7%

Dimethyl sulfoxide, puriss., absolute, over molecular sieve (H2O <=0.005%), >=99.5% (GC)

Dimethyl sulfoxide, sterile-filtered, BioPerformance Certified, meets EP, USP testing specifications, suitable for hybridoma

Microorganism:

Yes

IUPAC name

methylsulfinylmethane

SMILES

CS(=O)C

Inchi

InChI=1S/C2H6OS/c1-4(2)3/h1-2H3

Formula

C₂H₆OS

PubChem ID

679

Molweight

78.14

LogP

-0.6

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

sulfoxides sulfur compounds

CHEBI-ID

28262

Supernatural-ID

SN0140812

mVOC Specific Details

Boiling Point

Degree	Reference
189 °C peer reviewed

Volatilization

The Henry's Law constant for dimethyl sulfoxide is 1.03X10-8 atm-cu m/mole at 25 deg C(SRC) based upon a measured air/water partition coefficient equation of 136,600-1570T where T is in deg C and the partition coefficient is in mol/kg-atm(1). This Henry's Law constant indicates that dimethyl sulfoxide is expected to be essentially nonvolatile from moist soil and water surfaces(2). The observation that the concentration of dimethyl sulfoxide in marine air is about 1/100 that of dimethyl sulfide suggests that little or no dimethyl sulfoxide is volatilizing from the sea surface(3). Dimethyl sulfoxide's Henry's Law constant indicates that volatilization from moist soil surfaces is not expected to be an important(SRC). Dimethyl sulfoxide is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure 0.60 mm Hg at 25 deg C(4).
Literature: (1) Watts SF, Brimblecombe P; Environ Technol Lett 8: 483-86 (1987) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Harvey GR, Lang RG; Geophys Res Let 13: 49-51 (1986) (4) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, DC: Taylor and Francis (2002)
Literature: #The volatilization rate of a pool of dimethyl sulfoxide was measured at 0 and -17.5 deg C(1). The flux was found to be proportional to the cube root of the wind speed. At a wind speed of 1 m/s, the volatilization rate was approximately 1.2 and 9 ug/min at -17.5 and 0 deg C, respectively. The calculated volatilization rate at zero wind velocity is 0.8 and 0.07 ug/min at 0 and -20 deg C, respectively(1). For volatilization of droplets, as opposed to a pool, surface affects (droplet spreading), would be important(SRC).
Literature: (1) Podoll RT, Parish HJ; Experimental Measurements of the Properties of Chemical Surety Materials Under Conditions of Extreme Cold. CREDC-CR-88051 AD B122 961 Aberdeen Proving Ground, MD: US Army CREDC (1988)

Soil Adsorption

Using a structure estimation method based on molecular connectivity indices(1), the Koc of dimethyl sulfoxide can be estimated to be 2(SRC). According to a classification scheme(2), this estimated Koc value suggests that dimethyl sulfoxide is expected to have very high mobility in soil.
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.11. Nov, 2012. Available from, as of June 16, 2014: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (2) Swann RL et al; Res Rev 85: 17-28 (1983)

Vapor Pressure

Pressure	Reference
0.60 mm Hg at 25 deg C	Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, DC: Taylor and Francis (2002)

MS-Links

1D-NMR-Links

1D NMR Spectrum 2579 - JEOL 300 MHz 1H NMR

1D NMR Spectrum 3275 - NEVA 15.09 MHz 13C NMR

Massbank-Links

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP002100

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP008177

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP009138

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Prokaryota	Tsukamurella Sp.	na	na	Tyc et al. 2015
Eukaryota	Tuber Aestivum	n/a	Agricultural Centre of Castilla and LeÃƒÂ³n Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).	Diaz et al. 2003
Eukaryota	Tuber Melanosporum	n/a	Agricultural Centre of Castilla and LeÃƒÂ³n Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).	Diaz et al. 2003

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Prokaryota	Tsukamurella Sp.	Tryptic soy broth agar	GC/MS-Q-TOF	no
Eukaryota	Tuber Aestivum	n/a	n/a	no
Eukaryota	Tuber Melanosporum	n/a	n/a	no

Nitrous Oxide

Mass-Spectra

Compound Details

Synonymous names

nitrous oxide

Laughing gas

Dinitrogen oxide

Dinitrogen monoxide

Factitious air

nitrogen protoxide

Nitrogen oxide (N2O)

10024-97-2

Nitrogen hypoxide

Hyponitrous acid anhydride

Stickdioxyd

oxyde nitreux

Oxido nitroso

Gas, Laughing

protoxyde d'azote

Lachgas

gaz hilarant

Nitrous oxide, compressed

Oxide, Nitrous

Nitrous oxide [JAN]

Diazyne 1-oxide

Distickstoffmonoxid

FEMA No. 2779

Stickstoff(I)-oxid

nitrogenium oxydulatum

Nitrous oxide, refrigerated liquid

Nitrogenum oxygenatum

N2O

Nitrous oxide (TN)

Protoxide of nitrogen

oxidodinitrogen(N--N)

CCRIS 1225

HSDB 504

Nitrious oxide

Dinitrogenii oxidum

EINECS 233-032-0

Nitrogen oxide (n(sub 2)o)

Nitrous oxide [Anaesthetics, volatile]

UNII-K50XQU1029

NITRAL

INS NO.942

Nitrous-15N2 oxide

CHEBI:17045

INS-942

K50XQU1029

Nitrous oxide [USP:JAN]

E942

DTXSID8021066

E-942

EC 233-032-0

R-744A

Stickdioxyd [German]

Nitrous oxide (USP:JAN)

Oxido nitroso [Spanish]

NITROUS OXIDE (MART.)

NITROUS OXIDE [MART.]

Protoxyde d'azote [French]

NITROUS OXIDE (EP IMPURITY)

NITROUS OXIDE [EP IMPURITY]

NITROUS OXIDE (EP MONOGRAPH)

NITROUS OXIDE [EP MONOGRAPH]

NITROUS OXIDE (USP MONOGRAPH)

NITROUS OXIDE [USP MONOGRAPH]

NNO

NITROUS-OXIDE

UN1070

UN2201

Nitrous oxide (JP15/USP)

Azoto protossido

Nitroux Oxide

Nitrous oxide [UN1070] [Nonflammable gas]

Nitrous Oxide Sedara

Diazyne 1-oxide #

Nitrous Oxide, USP

Oxydum nitrosum (Latin)

Nitrogenii oxidium (Latin)

NITROUS OXIDE [MI]

NITROUS OXIDE [FCC]

Nitrous oxide, JAN, USAN

NITROUS OXIDE [FHFI]

NITROUS OXIDE [HSDB]

NITROUS OXIDE [INCI]

Nitrous oxide (JP17/USP)

Nitrogenii monoxidium (Latin)

NITROUS OXIDE [VANDF]

Nitrogenium oxydulatum (Latin)

DTXCID301066

N-(2,3-dimethylphenyl)-3-piperidinamine ethanedioate

NITROUS OXIDE [WHO-DD]

CHEMBL1234579

FEMA 2779

DINITROGEN OXIDE [WHO-IP]

NITROUS OXIDE [GREEN BOOK]

NITROUS OXIDE, (COMPRESSED)

AKOS015903682

DB06690

UN 1070

UN 2201

100240-04-8

DINITROGENII OXIDUM [WHO-IP LATIN]

NS00013894

Nitrous oxide [UN1070] [Nonflammable gas]

C00887

D00102

Q905750

Nitrous oxide, refrigerated liquid [UN2201] [Nonflammable gas]

Microorganism:

IUPAC name

nitrous oxide

SMILES

[N-]=[N+]=O

Inchi

InChI=1S/N2O/c1-2-3

Formula

N₂O

PubChem ID

948

Molweight

44.013

LogP

0.5

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

nitrogen compounds oxides

CHEBI-ID

17045

Supernatural-ID

SN0112769

mVOC Specific Details

Boiling Point

Degree	Reference
-88.48 °C peer reviewed

Vapor Pressure

Pressure	Reference
4.29X10+4 mm Hg at 25 deg C	Daubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.

MS-Links

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Eukaryota	Pleurotus Eryngii	na	root of Eryngium campestre	Lo Cantore et al. 2015

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Eukaryota	Pleurotus Eryngii	MEA	SPME-GC	no

Sulfur Dioxide

Mass-Spectra

Compound Details

Synonymous names

sulfur dioxide

sulphur dioxide

Sulfurous anhydride

7446-09-5

Sulfurous oxide

Sulfur superoxide

Fermenicide liquid

Fermenicide powder

Sulfur oxide (SO2)

Sulfurous acid anhydride

Schwefeldioxid

Siarki dwutlenek

Sulfur dioxide (SO2)

dioxidosulfur

Schwefeldioxyd

Oxosulfane oxide

Caswell No. 813

FEMA No. 3039

Surfur dioxide (anhydrous)

Fermenticide liquid

Schwefel(IV)-oxid

UN 1079

SULFUROXIDE

CCRIS 9001

HSDB 228

SO2

Sulfur dioxide (NF)

SULFUR-DIOXIDE

CHEBI:18422

0UZA3422Q4

EINECS 231-195-2

EPA Pesticide Chemical Code 077601

UNII-0UZA3422Q4

INS NO.220

DTXSID6029672

Sulfon

INS-220

SULFUR DIOXIDE (E 220)

Sulfur dioxide (SO2) 10% by volume or more SO2

SULFUROUS ANHYDRIDE (E220)

Sulfur dioxide [NF]

E220

E-220

R-764

EC 231-195-2

SULFUR DIOXIDE (II)

SULFUR DIOXIDE [II]

SULFUR DIOXIDE (IARC)

SULFUR DIOXIDE [IARC]

Sulfur dioxide, >=99.9%

SULFUR DIOXIDE (MART.)

SULFUR DIOXIDE [MART.]

Sulfurdioxide

(SO2)

[SO2]

Schwefeldioxyd [German]

Siarki dwutlenek [Polish]

sulfonyl

sulfuryl

sulphonyl

sulfer dioxide

Dioxide, Sulfur

Oxosulfane oxide #

Anhydride, Sulfurous

UN1079

67015-63-8

Sulfur dioxide [UN1079] [Poison gas]

Sulphur dioxide, liquified

SULFUR DIOXIDE [MI]

SULFUR DIOXIDE [FCC]

SULFUR DIOXIDE [FHFI]

SULFUR DIOXIDE [HSDB]

DTXCID009672

Sulfur dioxide, >=99.98%

CHEMBL1235997

FEMA 3039

InChI=1/O2S/c1-3-2

RAHZWNYVWXNFOC-UHFFFAOYSA-

SULFUR DIOXIDE, LIQUEFIED

SULPHUR DIOXIDE, LIQUEFIED

SULFUR DIOXIDE (ANHYDROUS)

AKOS015904447

Sulfur dioxide, puriss., >=99.9%

USEPA/OPP Pesticide Code: 077601

Sulfur dioxide [UN1079] [Poison gas]

NS00076361

Q5282

U0147

U0148

C09306

D05961

Sulfur Dioxide (ca. 2.5% in Dichloromethane, ca. 0.5 mol/L)

Sulfur Dioxide (ca. 8% in Tetrahydrofuran, ca. 1.2 mol/L)

Microorganism:

Yes

IUPAC name

sulfur dioxide

SMILES

O=S=O

Inchi

InChI=1S/O2S/c1-3-2

Formula

O₂S

PubChem ID

1119

Molweight

64.07

LogP

0.1

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

sulfur compounds oxides

CHEBI-ID

18422

Supernatural-ID

SN0320022

mVOC Specific Details

Boiling Point

Degree	Reference
-10.05 °C peer reviewed

Volatilization

The Henry's Law constant for sulfur dioxide is 8.10X10-4 atm-cu m/mole(1). This Henry's Law constant indicates that sulfur dioxide is expected to volatilize from water surfaces(2). Sulfur dioxide's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). However volatilization may be attenuated by reaction with water to form sulfuric acid(SRC). Sulfur dioxide is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 3.0X10+3 mm Hg(3).

Soil Adsorption

Sulfur dioxide uptake is dependent upon soil pH and moisture content.
Literature: Payrissat M, Beilke S; Atmos Environ 9: 211 (1975) as cited in Monitoring and Assessment Research Centre; Report #7 p.21 (1978)

Vapor Pressure

Pressure	Reference
3X10+3 mm Hg at 25 deg C (est)	Daubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.

MS-Links

MS-Links

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Prokaryota	Chryseobacterium Sp.	na	na	Tyc et al. 2015
Prokaryota	Janthinobacterium Sp.	na	na	Tyc et al. 2015

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Prokaryota	Chryseobacterium Sp.	Tryptic soy broth agar	GC/MS-Q-TOF	no
Prokaryota	Janthinobacterium Sp.	Tryptic soy broth agar	GC/MS-Q-TOF	no

Oxirane

Mass-Spectra

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 name

oxirane

SMILES

C1CO1

Inchi

InChI=1S/C2H4O/c1-2-3-1/h1-2H2

Formula

C₂H₄O

PubChem ID

6354

Molweight

44.05

LogP

-0.1

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

cyclic ethers epoxides heterocyclic compounds ethers

CHEBI-ID

27561

Supernatural-ID

SN0140791

mVOC Specific Details

Boiling Point

Degree	Reference
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

Pressure	Reference
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

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP001575

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Prokaryota	Bacillus Toyonensis		isolate from Irish potato soils	Heenan-Daly et al. 2021
Eukaryota	Pleurotus Ostreatus	na	widespread in many temperate and subtropical forests throughout the world, saprobe	Lo Cantore et al. 2015
	Microbacterium			Ballot et al. 2023

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Prokaryota	Bacillus Toyonensis	TSB media	SPME/GC-MS	no
Eukaryota	Pleurotus Ostreatus	MEA	SPME-GC	no
	Microbacterium	tryptone soy (TS medium; Carl Roth, Karlsruhe, Germany)	GC-QQQ-MS	no

2-hydroperoxypropan-2-ylbenzene

Mass-Spectra

Compound Details

Synonymous names

CUMENE HYDROPEROXIDE

80-15-9

Cumyl hydroperoxide

Cumenyl hydroperoxide

Hydroperoxide, 1-methyl-1-phenylethyl

Cumolhydroperoxid

Cumolhydroperoxide

7-Cumyl hydroperoxide

alpha,alpha-Dimethylbenzyl hydroperoxide

2-hydroperoxypropan-2-ylbenzene

Cument hydroperoxide

Hydroperoxyde de cumene

Hydroperoxyde de cumyle

Cumeenhydroperoxyde

Kumenylhydroperoxid

Isopropylbenzene hydroperoxide

7-Hydroperoxykumen

1-Methyl-1-phenylethyl hydroperoxide

RCRA waste number U096

Hydroperoxide de cumene

Idroperossido di cumene

Idroperossido di cumolo

Percumyl H

CCRIS 3801

HSDB 254

Hyperiz

DTXSID3024869

2-Phenylpropane-2-peroxol

UNII-PG7JD54X4I

EINECS 201-254-7

PG7JD54X4I

alpha,alpha-Dimethylbenzylhydroperoxide

Trigonox K 80

BRN 1908117

Hydroperoxide, 1-methyl-1-phenylethyl-

CHEBI:78673

Hydroperoxide, alpha,alpha-dimethylbenzyl-

PH 80

alpha-Cumyl hydroperoxide

alpha-Cumene hydroperoxide

LUPEROX CU 80

TRIGONOX K 90

Hydroperoxide, alpha,alpha-dimethylbenzyl

DTXCID404869

EC 201-254-7

4-06-00-03221 (Beilstein Handbook Reference)

.alpha.,.alpha.-Dimethylbenzyl hydroperoxide

cumylhydroperoxide

Hydroperoxide, .alpha.,.alpha.-dimethylbenzyl

Cumene Hydroperoxide (80per cent, Technical grade)

Cumolhydroperoxid [German]

Cumeenhydroperoxyde [Dutch]

Kumenylhydroperoxid [Czech]

7-Hydroperoxykumen [Czech]

Hydroperoxyde de cumene [French]

Hydroperoxyde de cumyle [French]

Idroperossido di cumene [Italian]

Idroperossido di cumolo [Italian]

RCRA waste no. U096

r 239a

isopropyl benzene hydroperoxide

cumyl-hydroperoxide

Trigonox K-95

Trigonox R 239A

KAYACUMENE H

dimethylbenzyl hydroperoxide

TRIGONOX R 239R

.alpha.-Cumyl hydroperoxide

CHP-5

.alpha.-Cumene hydroperoxide

SCHEMBL15251

CHEMBL1518369

SCHEMBL11210695

(2-Phenylpropan-2-yl)dioxidanyl

CHP-158

DTXSID00992375

2-phenylpropan-2-yl hydroperoxide

CUMENE HYDROPEROXIDE [HSDB]

Tox21_300283

MFCD00002129

STL453641

AKOS015841738

CCG-207896

UN 2116

2-PHENYL-2-PROPYL HYDROPEROXIDE

CAS-80-15-9

alpha, alpha-dimethylbenzyl hydroperoxide

NCGC00091748-01

NCGC00091748-02

NCGC00091748-03

NCGC00254045-01

Cumene hydroperoxide, technical grade, 80%

C2223

NS00009523

Cumene Hydroperoxide (80%, Technical grade)

ALPHA,ALPHA-DIMETHYLBENZENE HYDROPEROXIDE

Cumene hydroperoxide, technical, ~80% in cumene

Q414439

Microorganism:

IUPAC name

2-hydroperoxypropan-2-ylbenzene

SMILES

CC(C)(C1=CC=CC=C1)OO

Inchi

InChI=1S/C9H12O2/c1-9(2,11-10)8-6-4-3-5-7-8/h3-7,10H,1-2H3

Formula

C₉H₁₂O₂

PubChem ID

6629

Molweight

152.19

LogP

1.7

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

aromatic compounds benzenoids peroxides

CHEBI-ID

78673

Supernatural-ID

SN0457423

mVOC Specific Details

Boiling Point

Degree	Reference
153 °C peer reviewed

Volatilization

The Henry's Law constant for cumene hydroperoxide is estimated as 4.7X10-8 atm-cu m/mole(SRC) derived from its vapor pressure, 3.27X10-3 mm Hg(1), and water solubility, 1.39X10+4 mg/l(2). This Henry's Law constant indicates that cumene hydroperoxide is expected to be essentially nonvolatile(3). Cumene hydroperoxide is not expected to volatilize from dry soil surfaces based upon a vapor pressure of 3.27X10-3 mm Hg(1). It is expected to rapidly decompose in soil and water(4) and consequently attenuate volatilization to the atmosphere(SRC).
Literature: (1) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals: Data Compilation. Design Inst Phys Prop Data. Amer Inst Chem Eng. NY, NY: Hemisphere Pub Corp 5 Vol (1989) (2) Yalkowsky SH, Dannenfelser RM; The AQUASOL dATAbASE of Aqueous Solubility. Fifth Ed, Tucson, AZ: Univ AZ, of Pharmacy (1992) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (4) Sanchez J et al; Kirk-Othmer Encycl Chem Technol. 4th. NY, NY: Wiley 18: 230-310 (1996)

Soil Adsorption

Using a structure estimation method based on molecular connectivity indices(1), the Koc for cumene hydroperoxide can be estimated to be 2300(SRC). According to a classification scheme(2), this estimated Koc value suggests that cumene hydroperoxide is expected to have slight mobility in soil. Hydroperoxides react with multivalent metal ions and other species ubiquitous in soil and are readily reduced to the corresponding alcohols(3). Therefore, it is expected to chemically degrade rapidly in soil and is not expected to travel long distances in soil or migrate to groundwater(SRC).
Literature: (1) Meylan WM et al; Environ Sci Technol 26: 1560-67 (1992) (2) Swann RL et al; Res Rev 85: 17-28 (1983) (3) Sanchez J et al; Kirk-Othmer Encycl Chem Technol. 4th. NY, NY: Wiley 18: 230-310 (1996)

Vapor Pressure

Pressure	Reference
3.27X10-3 mm Hg @ 25 deg C	Daubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Eukaryota	Tuber Magnatum	n/a	Italian geographical areas ( Umbria, Piedmont, Emilia Romagna, Border region area between Emilia Romagna and Marche, Molise)	Gioacchini et al. 2008

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Eukaryota	Tuber Magnatum	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)	no

2-tert-butylperoxy-2-methylpropane

Compound Details

Synonymous names

Di-tert-butyl peroxide

110-05-4

tert-Butyl peroxide

Di-t-butyl peroxide

t-Butyl peroxide

Cadox

Peroxide, bis(1,1-dimethylethyl)

Trigonox B

2-(tert-Butylperoxy)-2-methylpropane

tert-Butylperoxide

Cadox TBP

Kayabutyl D

Perbutyl D

Interox DTB

Bis(tert-butyl) peroxide

Di-tert-butylperoxid

Peroxyde de butyle tertiaire

Di-tert-butyl peroxyde

Di-tert-Butyl hydroperoxide

di-tert-butylperoxide

Perossido di butile terziario

NSC 673

2-tert-butylperoxy-2-methylpropane

Bis(1,1-dimethylethyl) peroxide

Di-tertiary-butyl peroxide

M7ZJ88F4R1

DTXSID2024955

NSC-673

(Tributyl)peroxide

DTXCID704955

Bis(t-butyl)peroxide

2,2'-dioxybis(2-methylpropane)

T-butyl-peroxide

CAS-110-05-4

di-t butyl peroxide

Di-tert-butylperoxid [German]

CCRIS 4613

di(t-butyl) peroxide

Di-tert-butyl peroxyde [Dutch]

HSDB 1326

EINECS 203-733-6

Peroxyde de butyle tertiaire [French]

BIS(1,1-DIMETHYLETHYL)PEROXIDE

Perossido di butile terziario [Italian]

UNII-M7ZJ88F4R1

t-butylperoxide

tBuOOtBu

Di-t-butylperoxide

di-tertbutylperoxide

ditert.butylperoxide

2-tert-butylperoxy-2-methyl-propane

MFCD00008803

di-tertbutyl peroxide

ditert-butyl peroxide

di-tert.butyl peroxide

di-tertiarybutylperoxide

ditertiary butylperoxide

ditertiarybutyl peroxide

Peroxide, tert-butyl-

di(tert.-butyl)peroxide

di(tert.butyl) peroxide

di-tert.-butyl peroxide

di-tertiary butylperoxide

ditertiary butyl peroxide

(tert-C4H9O)2

di-tertiary butyl peroxide

DTBP [MI]

Peroxide, bis-tert-butyl-

EC 203-733-6

SCHEMBL14861

NSC673

CHEMBL1558599

(CH3)3CO-OC(CH3)3

2-tert-butyldioxy-2-methylpropane

Tox21_201461

Tox21_300099

AKOS015902599

2-(tert-Butylperoxy)-2-methylpropane #

NCGC00091801-01

NCGC00091801-02

NCGC00091801-03

NCGC00254065-01

NCGC00259012-01

tert-Butyl peroxide (Luperox DI), 97%

Luperox(R) DI, tert-Butyl peroxide, 98%

D3411

NS00006093

BIS(1,1-DIMETHYLETHYL)PEROXIDE [HSDB]

A802134

Q413043

t-butyl peroxide bis(1,1-di-methylethyl)peroxide

J-002365

J-520402

WLN: 1X1 & 1 & OOX1 & 1 & 1

F0001-0215

Microorganism:

Yes

IUPAC name

2-tert-butylperoxy-2-methylpropane

SMILES

CC(C)(C)OOC(C)(C)C

Inchi

InChI=1S/C8H18O2/c1-7(2,3)9-10-8(4,5)6/h1-6H3

Formula

C₈H₁₈O₂

PubChem ID

8033

Molweight

146.23

LogP

2.1

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

peroxides

mVOC Specific Details

Boiling Point

Degree	Reference
111 °C peer reviewed

Volatilization

The Henry's Law constant for bis(1,1-dimethylethyl)peroxide is estimated as 0.0483 atm-cu m/mole(SRC) derived from its vapor pressure, 25.1 mm Hg(1), and water solubility, 100 mg/L(2). This Henry's Law constant indicates that bis(1,1-dimethylethyl)peroxide is expected to volatilize rapidly 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 4 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)(3) is estimated as 5 days(SRC). The potential for volatilization of bis(1,1-dimethylethyl)peroxide from dry soil surfaces may exist(SRC) based upon its vapor pressure(1).

Soil Adsorption

Using a structure estimation method based on molecular connectivity indices(1), the Koc of bis(1,1-dimethylethyl)peroxide can be estimated to be 620(SRC). According to a classification scheme(2), this estimated Koc value suggests that bis(1,1-dimethylethyl)peroxide is expected to have moderate mobility in soil.

Vapor Pressure

Pressure	Reference
22.305

Massbank-Links

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP002888

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP008319

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
	Meyerozyma Guilliermondii			Xiong et al. 2023

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
	Meyerozyma Guilliermondii	YEPD, 10 g/L yeast extrac, 20 g/L peptone, 20 g dextrose	GC-MS and GC-IMS	no

1-methyl-4-propan-2-yl-2,3-dioxabicyclo[2.2.2]oct-5-ene

Compound Details

Synonymous names

ASCARIDOLE

Ascaridol

512-85-6

1,4-Peroxido-p-menthene-2

Ascaridiol

1,4-Peroxy-p-menth-2-ene

1,4-Epidioxy-p-menth-2-ene

Ascaricum

Ascarisin

Askaridol

cis-Ascaridole

NSC 406266

CHEBI:2866

2,3-Dioxabicyclo[2.2.2]oct-5-ene, 1-methyl-4-(1-methylethyl)-

1-Methyl-4-(1-methylethyl)-2,3-dioxabicyclo(2.2.2)oct-5-ene

2,3-Dioxabicyclo(2.2.2)oct-5-ene, 1-isopropyl-4-methyl-

2,3-Dioxabicyclo(2.2.2)oct-5-ene, 1-methyl-4-(1-methylethyl)-

1,4-Epidioxy-2-p-menthene

NSC-406266

NSC-406924

p-Menth-2-ene, 1,4-epidioxy-

1-methyl-4-(1-methylethyl)-2,3-dioxabicyclo[2.2.2]oct-5-ene

EINECS 208-147-4

UNII-1718D0GEVJ

2, 1-isopropyl-4-methyl-

p-Menth-2-ene,4-epidioxy-

AI3-11049

1-Isopropyl-4-methyl-2,3-Dioxabicyclo(2.2.2)oct-5-ene

1-Isopropyl-4-methyl-2,3-dioxabicyclo[2.2.2]oct-5-ene

4-methyl-1-(propan-2-yl)-2,3-dioxabicyclo[2.2.2]oct-5-ene

2, 1-methyl-4-(1-methylethyl)-

WLN: T66 A B AO BO DUTJ CY F

1-methyl-4-propan-2-yl-2,3-dioxabicyclo[2.2.2]oct-5-ene

Ascaridole (organic peroxide) [Forbidden]

Uncinacina

Ascapurin

4-methyl-1-(propan-2-yl)-2,3-dioxabicyclo(2.2.2)oct-5-ene

1-methyl-4-(propan-2-yl)-2,3-dioxabicyclo[2.2.2]oct-5-ene

Kebal II

SCHEMBL156673

Discontiuned Unable to ship""

1, 4-Peroxy-p-menth-2-ene

CHEMBL467614

1, 4-Epidioxy-p-menth-2-ene

NSC406266

NSC406924

AKOS004910035

TS-08412

HY-118494

CS-0066135

NS00010548

C09836

Q419442

1-isopropyl-4-methyl-7-oxabicyclo[2.2.1]hept-2-ene

1-Isopropyl-4-methyl-2,3-dioxabicyclo[2.2.2]oct-5-ene #

1-Methyl-4-(1-methylethyl)-2,3-dioxabicyclo[2.2.2]oct-5-ene, 9CI

Microorganism:

IUPAC name

1-methyl-4-propan-2-yl-2,3-dioxabicyclo[2.2.2]oct-5-ene

SMILES

CC(C)C12CCC(C=C1)(OO2)C

Inchi

InChI=1S/C10H16O2/c1-8(2)10-6-4-9(3,5-7-10)11-12-10/h4,6,8H,5,7H2,1-3H3

Formula

C₁₀H₁₆O₂

PubChem ID

10545

Molweight

168.23

LogP

2.3

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

terpenes peroxides

CHEBI-ID

2866

Supernatural-ID

SN0225388

mVOC Specific Details

Boiling Point

Degree	Reference
112 median

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Eukaryota	Fusarium Oxysporum		NA	Moisan et al. 2021

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Eukaryota	Fusarium Oxysporum	1/5th PDA medium	GC-MS	no

2-(methoxymethyl)oxirane

Compound Details

Synonymous names

Glycidyl methyl ether

2-(Methoxymethyl)oxirane

930-37-0

Methyl glycidyl ether

Oxirane, (methoxymethyl)-

1,2-EPOXY-3-METHOXYPROPANE

Glycidol methyl ether

(Methoxymethyl)oxirane

Methylglycidyl ether

3-Methoxypropylene oxide

3-Methoxy-1,2-epoxypropane

Denacol EX-131

Propane, 1,2-epoxy-3-methoxy-

2,3-Epoxypropyl-methyl ether

NSC 86950

Oxirane, 2-(methoxymethyl)-

87MK2KA66T

MFCD00005140

NSC-86950

glycidylmethylether

28325-89-5

CCRIS 2630

HSDB 5444

EINECS 213-216-7

BRN 0102505

UNII-87MK2KA66T

AI3-52869

2-methoxymethyl-oxirane

EPIOL M

2-(Methoxymethyl)oxirane #

Propane,2-epoxy-3-methoxy-

DTXSID9025613

LKMJVFRMDSNFRT-UHFFFAOYSA-

NSC86950

(R)-(-)-2-(Methoxymethyl)oxirane

GEO-04527

STL287735

(+/-)-GLYCIDYL METHYL ETHER

AKOS000138368

AKOS016037121

SY053022

1,2-EPOXY-3-METHOXYPROPANE [HSDB]

DB-054672

DB-054673

AM20120337

G0203

NS00039519

EN300-73694

F11173

Methyl glycidyl ether 1,2-Epoxy-3-methoxypropane

Q27269834

InChI=1/C4H8O2/c1-5-2-4-3-6-4/h4H,2-3H2,1H3

(S)-(+)-2-(Methoxymethyl)oxirane;(S)-(+)-Methyl glycidyl ether

Microorganism:

Yes

IUPAC name

2-(methoxymethyl)oxirane

SMILES

COCC1CO1

Inchi

InChI=1S/C4H8O2/c1-5-2-4-3-6-4/h4H,2-3H2,1H3

Formula

C₄H₈O₂

PubChem ID

13589

Molweight

88.11

LogP

-0.2

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

ethers epoxides

mVOC Specific Details

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
	Bacillus Thuringiensis			Koilybayeva et al. 2023
	Bacillus Toyonensis			Koilybayeva et al. 2023

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
	Bacillus Thuringiensis	bacteriological agar (BA, 15 g/L), gelatin peptone (GP, 5 g/L), and meat extract (ME, 3 g/L)	GC–MS	no
	Bacillus Toyonensis	bacteriological agar (BA, 15 g/L), gelatin peptone (GP, 5 g/L), and meat extract (ME, 3 g/L)	GC–MS	no

2-decyloxirane

Compound Details

Synonymous names

1,2-EPOXYDODECANE

2855-19-8

2-Decyloxirane

1-Dodecene oxide

Oxirane, decyl-

Decyloxirane

Decyl oxirane

Dodecene epoxide

Dodecane, 1,2-epoxy-

Nedox 1200

Oxirane, 2-decyl-

1,2-Dodecane oxide

1,2-Dodecene oxide

1,2-Epoxy-n-dodecene

1,2-Epoxy-N-dodecane

1,2-Dodecylene Oxide

1,2-Epoxydodekan

alpha-Dodecene oxide

NSC 6785

CCRIS 2616

HSDB 5538

2-decyl-oxirane

EINECS 220-667-3

1-Dodecene Epoxide

BRN 0105569

DTXSID9025243

UNII-736974CF3U

AI3-14199

NSC-6785

2-N-DECYLOXIRANE

736974CF3U

(+/-)-DECYLOXIRANE

1,2-DODECENE EPOXIDE

DTXCID305243

EC 220-667-3

5-17-01-00166 (Beilstein Handbook Reference)

(+/-)-1,2-EPOXYDODECANE

MFCD00005150

Dodecane, epoxy-

1,2-Epoxydodekan [Czech]

2-Decyloxirane #

Dodecane,2-epoxy-

2-(decyl)-oxirane

VIKOLOX 12

(+-)-DECYLOXIRANE

1,2-Epoxydodecane, 90%

1,2-Epoxydodecane, 95%

SCHEMBL52008

WLN: T3OTJ B10

.ALPHA.-DODECENE OXIDE

CHEMBL3183029

NSC6785

(+-)-1,2-EPOXYDODECANE

Tox21_301660

BBL027500

OXIRANE, DECYL-, (+-)-

STL373430

AKOS015903513

MCULE-4819613479

NCGC00255147-01

BP-26278

SY049817

VS-08556

CAS-2855-19-8

DB-059944

CS-0152245

D1984

NS00002778

D89968

EN300-342618

J-640003

J-800003

W-109829

Q27266143

Z1255485282

Microorganism:

Yes

IUPAC name

2-decyloxirane

SMILES

CCCCCCCCCCC1CO1

Inchi

InChI=1S/C12H24O/c1-2-3-4-5-6-7-8-9-10-12-11-13-12/h12H,2-11H2,1H3

Formula

C₁₂H₂₄O

PubChem ID

17858

Molweight

184.32

LogP

5.2

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

ethers epoxides heterocyclic compounds

mVOC Specific Details

Boiling Point

Degree	Reference
123.88888888888889 median, REST, convertet to C

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Prokaryota	Pseudomonas Fluorescens	0	Medicago spp. plant rhizospheres	Hernández-León et al. 2015
Prokaryota	Pseudomonas Sp.	antifungal activity against Thielaviopsis ethacetica mycelial growth	Brazilian Biorenewables National Laboratory – LNBR/CNPEM Microorganism Collection, Campinas, SP; isolatedfrom soil and roots of highly productive sugarcane-producing regions; Brazil	Freitas et al. 2022

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Prokaryota	Pseudomonas Fluorescens	Nutrient Agar	SPME-GC-MS	no
Prokaryota	Pseudomonas Sp.	LB media	HS-SPME/GC-MS	no

2-hexyloxirane

Compound Details

Synonymous names

1,2-EPOXYOCTANE

2984-50-1

2-Hexyloxirane

Hexyloxirane

1-Octene oxide

Oxirane, hexyl-

Octylene epoxide

1-Octene epoxide

Octane 1,2-oxide

Octene-1,2-oxide

1,2-Epoxy-n-octane

n-Octene-1,2-oxide

Octane, 1,2-epoxy-

Epoxyoctane

Oktylenoxid

1,2-Octylene oxide

1,2-Epoxyoktan

2-hexyl-oxirane

NSC 24246

.alpha.-Epoxyoctane

1,2-Epoxyoctane purum

alpha-Epoxyoctane

26637-94-5

Oktylenoxid [Czech]

1,2-Epoxyoktan [Czech]

Octane, epoxy-

CCRIS 3797

EINECS 221-047-5

BRN 0079912

octene oxide

n-Hexyloxirane

AI3-14197

1,2 epoxyoctane

Octane,2-epoxy-

1,2-epoxy octane

1,2-epoxy-octane

1,2-Epoxyoctane, 96%

WLN: T3OTJ B6

SCHEMBL39393

5-17-01-00138 (Beilstein Handbook Reference)

NJWSNNWLBMSXQR-UHFFFAOYSA-

DTXSID301031190

NSC24246

BBL027501

MFCD00005157

NSC-24246

STL373784

AKOS009158672

MCULE-5253323325

AS-48232

BP-26283

PD193090

CS-0152296

E0206

NS00048797

1,2-Epoxyoctane, purum, >=95.0% (GC)

EN300-157817

F20386

J-640005

J-640383

J-660062

J-800005

Z1020680070

InChI=1/C8H16O/c1-2-3-4-5-6-8-7-9-8/h8H,2-7H2,1H3

Microorganism:

Yes

IUPAC name

2-hexyloxirane

SMILES

CCCCCCC1CO1

Inchi

InChI=1S/C8H16O/c1-2-3-4-5-6-8-7-9-8/h8H,2-7H2,1H3

Formula

C₈H₁₆O

PubChem ID

18126

Molweight

128.21

LogP

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

epoxides heterocyclic compounds ethers

mVOC Specific Details

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Prokaryota	Streptomyces Thermocarboxydus	NA	NA	Passari et al. 2019
Prokaryota	Lactobacillus Plantarum	NA	NA	Zhang et al. 2022

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Prokaryota	Streptomyces Thermocarboxydus	actinomycetes isolation agar (AIA)	GC-MS	no
Prokaryota	Lactobacillus Plantarum	chickpea milk	UHPLC/MS	no

2,3-dimethyloxirane

Compound Details

Synonymous names

2,3-Epoxybutane

2,3-Dimethyloxirane

3266-23-7

2-Butene oxide

Oxirane, 2,3-dimethyl-

2,3-BUTYLENE OXIDE

Butane, 2,3-epoxy-

beta-Oxybutene

2-Butene expoxide

beta-Butylene oxide

2,3-Dimethyloxirane cis+trans

meso-2,3-Epoxybutane

(z)-2,3-epoxybutane

CCRIS 6033

2,3-Dimethyl-oxirane (Z)

EINECS 221-877-8

Pseudobutylene Oxide

Oxirane, 2,3-dimethyl-, (2R,3R)-rel-

(e)-2,3-epoxybutane

EC 221-877-8

Butane, 2,3-epoxy, trans-

DTXSID5025239

MFCD00137387

AKOS015899847

8-ACETAMIDONAPHTHALEN-2-YLACETATE

SY224137

B0720

NS00002698

EN300-96226

A821360

2,3-Dimethyloxirane, cis+trans, >=97.0% (GC)

J-018826

Q58824552

63864-69-7

Microorganism:

Yes

IUPAC name

2,3-dimethyloxirane

SMILES

CC1C(O1)C

Inchi

InChI=1S/C4H8O/c1-3-4(2)5-3/h3-4H,1-2H3

Formula

C₄H₈O

PubChem ID

18632

Molweight

72.11

LogP

0.7

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

epoxides heterocyclic compounds ethers

mVOC Specific Details

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Eukaryota	Saccharomyces Cerevisiae	NA	NA	Harris et al. 2021
	Meyerozyma Guilliermondii			Xiong et al. 2023

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Eukaryota	Saccharomyces Cerevisiae	malt extract broth	HS-SPME with GC-MS	no
	Meyerozyma Guilliermondii	YEPD, 10 g/L yeast extrac, 20 g/L peptone, 20 g dextrose	GC-MS and GC-IMS	no

1-(3-methyloxiran-2-yl)ethanone

Compound Details

Synonymous names

17257-79-3

1-(3-methyloxiran-2-yl)ethanone

3,4-epoxy-2-pentanone

2-Pentanone, 3,4-epoxy-

2beta-Acetyl-3alpha-methyloxirane

Ethanone, 1-(3-methyloxiranyl)-

1-(3-METHYLOXIRANYL)ETHANONE

SCHEMBL11881829

DTXSID60938173

IAHUKWSQLBRAIN-UHFFFAOYSA-N

1-(3-methyloxiran-2-yl)ethan-1-one

3,4-Anhydro-1,5-dideoxypent-2-ulose

3,4-Anhydro-1,5-dideoxypent-2-ulose #

Microorganism:

Yes

IUPAC name

1-(3-methyloxiran-2-yl)ethanone

SMILES

CC1C(O1)C(=O)C

Inchi

InChI=1S/C5H8O2/c1-3(6)5-4(2)7-5/h4-5H,1-2H3

Formula

C₅H₈O₂

PubChem ID

28429

Molweight

100.12

LogP

0.1

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

epoxides heterocyclic compounds ketones ethers

mVOC Specific Details

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Prokaryota	Bacillus Pumilus		NA	Mülner et al. 2020

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Prokaryota	Bacillus Pumilus	nutrient agar	HS-SPME/GC-MS	no

4-(2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl)but-3-en-2-one

Compound Details

Synonymous names

3-Buten-2-one, 4-(2,2,6-trimethyl-7-oxabicyclo[4.1.0]hept-1-yl)-

3-Buten-2-one, 4-(2,2,6-trimethyl-7-oxabicyclo(4.1.0)hept-1-yl)-

beta-ionone 5,6-epoxide

EINECS 245-542-0

5,6-beta-Ionone epoxide

DTXSID8051885

4-(1,2-Epoxy-2,6,6-trimethylcyclohexyl)-3-butenone-2

WLZ3135

ZTJZJYUGOJYHCU-UHFFFAOYSA-N

DB-282879

NS00013296

Q27159719

4-(2,6,6-trimethyl-1,2-epoxycyclohexyl)-3-buten-2-one

Microorganism:

Yes

IUPAC name

4-(2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl)but-3-en-2-one

SMILES

CC(=O)C=CC12C(CCCC1(O2)C)(C)C

Inchi

InChI=1S/C13H20O2/c1-10(14)6-9-13-11(2,3)7-5-8-12(13,4)15-13/h6,9H,5,7-8H2,1-4H3

Formula

C₁₃H₂₀O₂

PubChem ID

90899

Molweight

208.3

LogP

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

heterocyclic compounds epoxides ketones ethers terpenes

CHEBI-ID

87546

Supernatural-ID

SN0479774

mVOC Specific Details

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Prokaryota	Cytophaga-Flavobacterium-Bacteroides	n/a	NA	Dickschat et al. 2005_3
Prokaryota	Calothrix Sp.	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Plectonema Sp.	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Phormidium Sp.	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Spirulina Platensis	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Cytophaga-Flavobacteria-Bacteroides Group	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Cyanobacteria Sp.	n/a	NA	Hoeckelmann et al. 2004
Prokaryota	Calothrix Parietina	n/a	NA	Hoeckelmann et al. 2004
Prokaryota	Calothrix Sp.	n/a	NA	Hoeckelmann et al. 2004
Prokaryota	Plectonema Notatum	n/a	NA	Hoeckelmann et al. 2004
Prokaryota	Plectonema Sp.	n/a	NA	Hoeckelmann et al. 2004
Prokaryota	Tolypothrix Distorta	n/a	NA	Hoeckelmann et al. 2004
Prokaryota	Rivularia Sp.	n/a	NA	Hoeckelmann et al. 2004
Prokaryota	Rivularia Sp./Calothrix Parietina	n/a	NA	Hoeckelmann et al. 2004

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Prokaryota	Cytophaga-Flavobacterium-Bacteroides	n/a	n/a	no
Prokaryota	Calothrix Sp.	n/a	n/a	no
Prokaryota	Plectonema Sp.	n/a	n/a	no
Prokaryota	Phormidium Sp.	n/a	n/a	no
Prokaryota	Spirulina Platensis	n/a	n/a	no
Prokaryota	Cytophaga-Flavobacteria-Bacteroides Group	n/a	n/a	no
Prokaryota	Cyanobacteria Sp.	n/a	n/a	no
Prokaryota	Calothrix Parietina	n/a	n/a	no
Prokaryota	Plectonema Notatum	n/a	n/a	no
Prokaryota	Tolypothrix Distorta	n/a	n/a	no
Prokaryota	Rivularia Sp.	n/a	n/a	no
Prokaryota	Rivularia Sp./Calothrix Parietina	n/a	n/a	no

1-methyl-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptane

Mass-Spectra

Compound Details

Synonymous names

Limonene oxide

1195-92-2

Limonene epoxide

Limonene 1,2-epoxide

Limonene monoxide

1-methyl-4-(prop-1-en-2-yl)-7-oxabicyclo[4.1.0]heptane

Limonene 1,2-oxide

1,2-Epoxylimonene

1,2-Epoxy-p-menth-8-ene

7-Oxabicyclo[4.1.0]heptane, 1-methyl-4-(1-methylethenyl)-

p-Menth-8-ene, 1,2-epoxy-

4-Isopropenyl-1-methyl-7-oxabicyclo[4.1.0]heptane

1-methyl-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptane

CHEBI:16431

NSC12045

1-Methyl-4-(1-methylvinyl)-7-oxabicyclo(4.1.0)heptane

7-Oxabicyclo(4.1.0)heptane, 1-methyl-4-(1-methylethenyl)-

CCRIS 3763

EINECS 214-805-1

NSC 12045

AI3-24998

Limonene 1, 2-oxide

1-Methyl-4-(1-methylethenyl)-7-oxabicyclo(4.1.0)heptane

a limonene-1,2-epoxide

a 1,2-epoxymenth-8-ene

p-Menth-8-ene,2-epoxy-

SCHEMBL93297

3-isopropenyl-6-methyl-7-oxabicyclo[4.1.0]heptane

CHEMBL2268547

DTXSID50862594

13837-75-7

7-Oxabicyclo[4.1.0]heptane, 1-methyl-4-(1-methylethenyl)-, [1S-(1.alpha.,4.alpha.,6.alpha.)]-

BBL027497

MFCD00005127

MFCD00074770

NSC-12045

STK801933

AKOS006228851

MCULE-4064327350

SB44781

SY257451

VS-08553

DB-061578

CS-0442167

NS00041597

E83861

EN300-322402

(+)-LIMONENE OXIDE 97% MIXTURE OF CIS&

J-504945

Q27101901

Z1198147214

1-Methyl-4-(prop-1-en-2-yl)-7-oxa-bicyclo[4.1.0]Heptane

{7-Oxabicyclo[4.1.0]heptane,} 1-methyl-4-(1-methylethenyl)-

1-Methyl-4-(1-methylethenyl)-7-oxabicyclo[4.1.0]heptane, 9CI

4-isopropenyl-1-methyl-7-oxa-bicyclo[4.1.0]heptane, AldrichCPR

1-METHYL-4-(PROP-1-EN-2-YL)-7-OXABICYCLO[4.1.0]HEPTANE(TBC AS STABILIZER)

Microorganism:

Yes

IUPAC name

1-methyl-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptane

SMILES

CC(=C)C1CCC2(C(C1)O2)C

Inchi

InChI=1S/C10H16O/c1-7(2)8-4-5-10(3)9(6-8)11-10/h8-9H,1,4-6H2,2-3H3

Formula

C₁₀H₁₆O

PubChem ID

91496

Molweight

152.23

LogP

2.5

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

ethers heterocyclic compounds epoxides oxides terpenes

CHEBI-ID

35672

Supernatural-ID

SN0041737

mVOC Specific Details

MS-Links

MS-MS Spectrum 76657

MS-MS Spectrum 76658

MS-MS Spectrum 136556

MS-MS Spectrum 136555

MS-MS Spectrum 136554

MS-MS Spectrum 76656

Massbank-Links

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP000359

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Prokaryota	Carnobacterium Divergens	n/a	NA	Ercolini et al. 2009

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Prokaryota	Carnobacterium Divergens	n/a	n/a	no

2,7,7-trimethyl-3-oxatricyclo[4.1.1.02,4]octane

Mass-Spectra

Compound Details

Synonymous names

alpha-Pinene oxide

2,3-Epoxypinane

1686-14-2

alpha-Pinene epoxide

2-Pinene oxide

Pinane, 2,3-epoxy-

Pinene oxide

alpha-Pineneoxide

.alpha.-Pinene oxide

.alpha.-Pinene epoxide

3-Oxatricyclo[4.1.1.02,4]octane, 2,7,7-trimethyl-

2,7,7-Trimethyl-3-oxatricyclo[4.1.1.02,4]octane

Pinane, 2,3-epoxy-, (-)-

2,3-Epoxy-pinane

alpha-Pinene 2,3-oxide

CHEBI:29060

Pinane,3-epoxy-

NSC12148

3-Oxatricyclo[4.1.1.0(2,4)]octane, 2,7,7-trimethyl-

Pinane,3-epoxy-, (-)-

2,7,7-Trimethyl-3-oxatricyclo(4.1.1.02,4)octane

2,7,7-trimethyl-3-oxatricyclo[4.1.1.0(2,4)]octane

3-Oxatricyclo(4.1.1.02,4)octane, 2,7,7-trimethyl-

a-Pinene Oxide

CCRIS 3762

3-Oxatricyclo[4.1.1.02, 2,7,7-trimethyl-

NSC 5609

EINECS 216-869-6

NSC 12148

BRN 0080362

Alpha-pinane oxide

I+/--Pinene oxide

2,7,7-Trimethyl-3-oxatricyclo(4.1.1.0(sup 2,4))octane

?-PINENE OXIDE

3-Oxatricyclo(4.1.1.0(sup 2,4))octane, 2,7,7-trimethyl-

bmse000491

.alpha.-Pinene 2,3-oxide

SCHEMBL93429

5-17-01-00426 (Beilstein Handbook Reference)

218308_ALDRICH

CHEMBL274511

DTXSID5051781

NSC5609

NSC-5609

NSC-12148

NSC407160

AKOS015916312

HY-W130074

MCULE-1107037130

NSC-407160

AS-68305

CS-0188178

NS00123845

P1362

D97335

W-109695

Q27104051

2,7,7-Trimethyl-3-oxatricyclo[4.1.1.0~2,4~]octane

{3-Oxatricyclo[4.1.1.02,4]octane,} 2,7,7-trimethyl-

2,7,7-TRIMETHYL-3-OXATRICYCLO[4.1.1.0(2),?]OCTANE

Microorganism:

IUPAC name

2,7,7-trimethyl-3-oxatricyclo[4.1.1.02,4]octane

SMILES

CC1(C2CC1C3(C(C2)O3)C)C

Inchi

InChI=1S/C10H16O/c1-9(2)6-4-7(9)10(3)8(5-6)11-10/h6-8H,4-5H2,1-3H3

Formula

C₁₀H₁₆O

PubChem ID

91508

Molweight

152.23

LogP

2.1

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

heterocyclic compounds epoxides oxides ethers terpenes

CHEBI-ID

29060

Supernatural-ID

SN0252360

mVOC Specific Details

Massbank-Links

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP006593

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Eukaryota	Ganoderma Lucidum	na	saprophytic on deciduous trees	Campos Ziegenbein et al. 2006

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Eukaryota	Ganoderma Lucidum	na	GC/MS	no

2-pentyloxirane

Compound Details

Synonymous names

1,2-Epoxyheptane

5063-65-0

2-Pentyloxirane

Pentyloxirane

1-Heptene oxide

1,2-Heptylene Oxide

Oxirane, pentyl-

Heptene 1,2-oxide

Heptane, 1,2-epoxy-

Heptylene oxide

(R)-1,2-EPOXYHEPTANE

Heptane,2-epoxy-

2-Pentyloxirane #

NSC 24250

(+)-1,2-epoxyheptane

SCHEMBL50924

DTXSID30911736

NSC24250

MFCD00037521

NSC-24250

AKOS009157136

BS-22663

CS-0205209

E0312

T72538

EN300-1852162

InChI=1/C7H14O/c1-2-3-4-5-7-6-8-7/h7H,2-6H2,1H

Microorganism:

Yes

IUPAC name

2-pentyloxirane

SMILES

CCCCCC1CO1

Inchi

InChI=1S/C7H14O/c1-2-3-4-5-7-6-8-7/h7H,2-6H2,1H3

Formula

C₇H₁₄O

PubChem ID

92215

Molweight

114.19

LogP

2.5

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

epoxides ethers heterocyclic compounds

mVOC Specific Details

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Prokaryota	Lactobacillus Plantarum	NA	NA	Zhang et al. 2022

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Prokaryota	Lactobacillus Plantarum	chickpea milk	UHPLC/MS	no

2-hydroperoxy-1,4-dioxane

Compound Details

Synonymous names

1,4-Dioxanyl hydroperoxide

4722-59-2

Dioxane hydroperoxide

Hydroperoxide, 1,4-dioxan-2-yl-

p-Dioxan-2-yl hydroperoxide

Hydroperoxide, 1,4-dioxan-2-yl

p-Dioxane hydroperoxide

p-Dioxanyl hydroperoxide

SCHEMBL8895005

1,4-DIOXANE-2-PEROXOL

DTXSID30963775

RYQFWBSHDMXCOY-UHFFFAOYSA-N

1,4-Dioxan-2-yl hydroperoxide #

Microorganism:

Yes

IUPAC name

2-hydroperoxy-1,4-dioxane

SMILES

C1COC(CO1)OO

Inchi

InChI=1S/C4H8O4/c5-8-4-3-6-1-2-7-4/h4-5H,1-3H2

Formula

C₄H₈O₄

PubChem ID

107326

Molweight

120.1

LogP

-0.8

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

peroxides heterocyclic compounds

mVOC Specific Details

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Eukaryota	Saccharomyces Cerevisiae	NA	NA	Harris et al. 2021

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Eukaryota	Saccharomyces Cerevisiae	malt extract broth	HS-SPME with GC-MS	no

2-[5-methyl-5-(4-methylcyclohex-3-en-1-yl)oxolan-2-yl]propan-2-ol

Mass-Spectra

Compound Details

Synonymous names

Bisabolol oxide B

55399-12-7

alpha-Bisabolol oxide B

Tetrahydro-alpha,alpha,5-trimethyl-5-(4-methyl-3-cyclohexen-1-yl)furan-2-methanol

2-[5-methyl-5-(4-methylcyclohex-3-en-1-yl)oxolan-2-yl]propan-2-ol

Bisabolol oxide II

.alpha.-Bisabolol oxide B

Bisabololoxide B

[2S-[2alpha,5beta(R*)]]-tetrahydro-alpha,alpha,5-trimethyl-5-(4-methyl-3-cyclohexen-1-yl)furan-2-methanol

EINECS 259-624-9

(-)-alpha-Bisabolol oxide B

SCHEMBL10865738

CHEBI:80720

DTXSID30949059

2-[5-Methyl-5-(4-methyl-3-cyclohexen-1-yl)tetrahydro-2-furanyl]-2-propanol #

2-Furanmethanol, tetrahydro-.alpha.,.alpha.,5-trimethyl-5-(4-methyl-3-cyclohexen-1-yl)-

RKBAYVATPNYHLW-UHFFFAOYSA-N

2-Furanmethanol, tetrahydro-.alpha.,.alpha.,5-trimethyl-5-(4-methyl-3-cyclohexen-1-yl)-, [2S-[2.alpha.,5.beta.(R)]]-

DB-309410

NS00050639

Q27149762

2-Furanmethanol, tetrahydro-alpha,alpha,5-trimethyl-5-(methyl-3-cyclohexen-1-yl)-

Microorganism:

IUPAC name

2-[5-methyl-5-(4-methylcyclohex-3-en-1-yl)oxolan-2-yl]propan-2-ol

SMILES

CC1=CCC(CC1)C2(CCC(O2)C(C)(C)O)C

Inchi

InChI=1S/C15H26O2/c1-11-5-7-12(8-6-11)15(4)10-9-13(17-15)14(2,3)16/h5,12-13,16H,6-10H2,1-4H3

Formula

C₁₅H₂₆O₂

PubChem ID

117301

Molweight

238.37

LogP

2.5

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

alcohols ethers oxides terpenes

CHEBI-ID

80720

Supernatural-ID

SN0327545

mVOC Specific Details

MS-Links

MS-MS Spectrum 112397

MS-MS Spectrum 56865

MS-MS Spectrum 56867

MS-MS Spectrum 56866

MS-MS Spectrum 112396

MS-MS Spectrum 112395

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Eukaryota	Ganoderma Lucidum	na	saprophytic on deciduous trees	Campos Ziegenbein et al. 2006

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Eukaryota	Ganoderma Lucidum	na	GC/MS	no

5,8,8-trimethyl-3-oxatricyclo[5.1.0.02,4]octane

Compound Details

Synonymous names

27867-36-3

PNJ58HM5VB

5,8,8-Trimethyl-3-oxatricyclo(5.1.0.02,4)octane

3-Oxatricyclo(5.1.0.02,4)octane, 5,8,8-trimethyl-

3-Oxatricyclo[5.1.0.02,4]octane, 5,8,8-trimethyl-

5,8,8-Trimethyl-3-oxatricyclo[5.1.0.0~2,4~]octane

5,8,8-TRIMETHYL-3-OXATRICYCLO[5.1.0.02,4]OCTANE

EINECS 248-701-2

car-4-ene oxide

UNII-PNJ58HM5VB

Carane, 4,5-epoxy-, trans

SCHEMBL10627107

DTXSID00950551

NS00049748

Microorganism:

Yes

IUPAC name

5,8,8-trimethyl-3-oxatricyclo[5.1.0.02,4]octane

SMILES

CC1CC2C(C2(C)C)C3C1O3

Inchi

InChI=1S/C10H16O/c1-5-4-6-7(10(6,2)3)9-8(5)11-9/h5-9H,4H2,1-3H3

Formula

C₁₀H₁₆O

PubChem ID

119627

Molweight

152.23

LogP

2.4

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

epoxides ethers heterocyclic compounds

mVOC Specific Details

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Eukaryota	Saccharomyces Cerevisiae	NA	NA	Harris et al. 2021

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Eukaryota	Saccharomyces Cerevisiae	malt extract broth	HS-SPME with GC-MS	no

Results for: chemical Classification: Oxides

Compound Details

mVOC Specific Details

Methylsulfinylmethane

Compound Details

mVOC Specific Details

Nitrous Oxide

Compound Details

mVOC Specific Details

Sulfur Dioxide

Compound Details

mVOC Specific Details

Oxirane

Compound Details

mVOC Specific Details

2-hydroperoxypropan-2-ylbenzene

Compound Details

mVOC Specific Details

2-tert-butylperoxy-2-methylpropane

Compound Details

mVOC Specific Details

1-methyl-4-propan-2-yl-2,3-dioxabicyclo[2.2.2]oct-5-ene

Compound Details

mVOC Specific Details

2-(methoxymethyl)oxirane

Compound Details

mVOC Specific Details

2-decyloxirane

Compound Details

mVOC Specific Details

2-hexyloxirane

Compound Details

mVOC Specific Details

2,3-dimethyloxirane

Compound Details

mVOC Specific Details

1-(3-methyloxiran-2-yl)ethanone

Compound Details

mVOC Specific Details

4-(2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl)but-3-en-2-one

Compound Details

mVOC Specific Details

1-methyl-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptane

Compound Details

mVOC Specific Details

2,7,7-trimethyl-3-oxatricyclo[4.1.1.02,4]octane

Compound Details

mVOC Specific Details

2-pentyloxirane

Compound Details

mVOC Specific Details

2-hydroperoxy-1,4-dioxane

Compound Details

mVOC Specific Details

2-[5-methyl-5-(4-methylcyclohex-3-en-1-yl)oxolan-2-yl]propan-2-ol

Compound Details

mVOC Specific Details

5,8,8-trimethyl-3-oxatricyclo[5.1.0.02,4]octane

Compound Details

mVOC Specific Details

Results for:
chemical Classification: Oxides