Results for:
chemical Classification: carbonates

Octadecyl Phenyl Carbonate

Compound Details

Synonymous names

Carbonic acid, octadecyl phenyl ester

ZYUBDLPFZYBCKS-UHFFFAOYSA-N

Microorganism:

Yes

IUPAC name

octadecyl phenyl carbonate

SMILES

CCCCCCCCCCCCCCCCCCOC(=O)OC1=CC=CC=C1

Inchi

InChI=1S/C25H42O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-27-25(26)28-24-21-18-17-19-22-24/h17-19,21-22H,2-16,20,23H2,1H3

Formula

C₂₅H₄₂O₃

PubChem ID

6421656

Molweight

390.6

LogP

10.9

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

aromatic compounds carbonates benzenoids

mVOC Specific Details

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Prokaryota	Stenotrophomonas Maltophilia	antifungal activity against Colletotrichum nymphaeae	isolated from the healthy strawberry leaf in Kamyaran, Kurdistan province	Alijani et al. 2020

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Prokaryota	Stenotrophomonas Maltophilia	NA media	GC-MS	no

[(E)-hex-3-enyl] 2-methylpropyl Carbonate

Compound Details

Synonymous names

CHVMJBNPMKVDBQ-AATRIKPKSA-N

(E)-Hex-3-enyl isobutyl carbonate

Microorganism:

Yes

IUPAC name

[(E)-hex-3-enyl] 2-methylpropyl carbonate

SMILES

CCC=CCCOC(=O)OCC(C)C

Inchi

InChI=1S/C11H20O3/c1-4-5-6-7-8-13-11(12)14-9-10(2)3/h5-6,10H,4,7-9H2,1-3H3/b6-5+

Formula

C₁₁H₂₀O₃

PubChem ID

91697795

Molweight

200.27

LogP

3.6

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

carbonates anhydrides

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

4-methylpentan-2-yl Propyl Carbonate

Compound Details

Synonymous names

MCTAIRCCXKYCDU-UHFFFAOYSA-N

4-Methylpentan-2-yl propyl carbonate

Microorganism:

Yes

IUPAC name

4-methylpentan-2-yl propyl carbonate

SMILES

CCCOC(=O)OC(C)CC(C)C

Inchi

InChI=1S/C10H20O3/c1-5-6-12-10(11)13-9(4)7-8(2)3/h8-9H,5-7H2,1-4H3

Formula

C₁₀H₂₀O₃

PubChem ID

91691406

Molweight

188.26

LogP

3.5

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

carbonates anhydrides

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

Decan-2-yl Ethyl Carbonate

Compound Details

Synonymous names

Decan-2-yl ethyl carbonate

94720-95-3

SCHEMBL5608104

DTXSID20535526

FCVPQVAPQCTDDB-UHFFFAOYSA-N

Microorganism:

Yes

IUPAC name

decan-2-yl ethyl carbonate

SMILES

CCCCCCCCC(C)OC(=O)OCC

Inchi

InChI=1S/C13H26O3/c1-4-6-7-8-9-10-11-12(3)16-13(14)15-5-2/h12H,4-11H2,1-3H3

Formula

C₁₃H₂₆O₃

PubChem ID

13297819

Molweight

230.34

LogP

5.3

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

carbonates anhydrides

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

Dipentyl Carbonate

Compound Details

Synonymous names

Dipentyl carbonate

2050-94-4

Diamyl carbonate

Carbonic acid, dipentyl ester

carbonic acid dipentyl ester

MFCD00068969

Carbonicacid,dipentylester

dipentylcarbonate

C11H22O3

Di-N-amyl carbonate

Dipentyl carbonate #

SCHEMBL37366

Carbonic acid, di-N-amyl ester

DTXSID20278527

NSC7948

HSNQKJVQUFYBBY-UHFFFAOYSA-N

CAA05094

NSC 7948

NSC-7948

AKOS028108607

DS-19373

SY309481

CS-0163204

C73885

Microorganism:

Yes

IUPAC name

dipentyl carbonate

SMILES

CCCCCOC(=O)OCCCCC

Inchi

InChI=1S/C11H22O3/c1-3-5-7-9-13-11(12)14-10-8-6-4-2/h3-10H2,1-2H3

Formula

C₁₁H₂₂O₃

PubChem ID

222266

Molweight

202.29

LogP

4.1

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

carbonates anhydrides

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

Decyl Nonyl Carbonate

Compound Details

Synonymous names

SCHEMBL4934658

Carbonic acid, decyl nonyl ester

KXOQSMVFTPOGKJ-UHFFFAOYSA-N

Microorganism:

Yes

IUPAC name

decyl nonyl carbonate

SMILES

CCCCCCCCCCOC(=O)OCCCCCCCCC

Inchi

InChI=1S/C20H40O3/c1-3-5-7-9-11-13-15-17-19-23-20(21)22-18-16-14-12-10-8-6-4-2/h3-19H2,1-2H3

Formula

C₂₀H₄₀O₃

PubChem ID

54018957

Molweight

328.5

LogP

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

carbonates

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

Ethenyl Undecyl Carbonate

Compound Details

Synonymous names

RQYOLNDKEMRWIM-UHFFFAOYSA-N

Carbonic acid, undecyl vinyl ester

Microorganism:

Yes

IUPAC name

ethenyl undecyl carbonate

SMILES

CCCCCCCCCCCOC(=O)OC=C

Inchi

InChI=1S/C14H26O3/c1-3-5-6-7-8-9-10-11-12-13-17-14(15)16-4-2/h4H,2-3,5-13H2,1H3

Formula

C₁₄H₂₆O₃

PubChem ID

91692931

Molweight

242.35

LogP

5.9

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

carbonates

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-ethylhexyl 2-methylpropyl Carbonate

Compound Details

Synonymous names

NPSPGHZMMKOHJM-UHFFFAOYSA-N

Carbonic acid, isobutyl 2-ethylhexyl ester

Microorganism:

Yes

IUPAC name

2-ethylhexyl 2-methylpropyl carbonate

SMILES

CCCCC(CC)COC(=O)OCC(C)C

Inchi

InChI=1S/C13H26O3/c1-5-7-8-12(6-2)10-16-13(14)15-9-11(3)4/h11-12H,5-10H2,1-4H3

Formula

C₁₃H₂₆O₃

PubChem ID

91693076

Molweight

230.34

LogP

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

carbonates

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

Tert-butyl (2-methylpropan-2-yl)oxycarbonyl Carbonate

Compound Details

Synonymous names

Di-tert-butyl dicarbonate

24424-99-5

BOC anhydride

Bis(tert-butoxycarbonyl)oxide

di-tert-Butyl pyrocarbonate

Di-tert-butyldicarbonate

Boc2O

tert-Butoxycarbonyl anhydride

BOC-anhydride

di-t-Butyl dicarbonate

Dicarbonic acid, bis(1,1-dimethylethyl) ester

Di-t-butyl pyrocarbonate

(boc)2o

tert-Butyl dicarbonate

Pyrocarbonic acid di-tert-butyl ester

di-tert butyl dicarbonate

di-t-butyldicarbonate

di-t-butyl-dicarbonate

ditert-butyldicarbonate

tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate

di-tert-butyl-dicarbonate

MFCD00008805

tert-butoxycarbonyl tert-butyl carbonate

Z10Q236C3G

Di-tert-butyl dicarbonate 2.0M in THF

Di-tert-butyl dicarbote

Di-tert-butyl dicarbonate 2.0M in Dichloromethane

Diboc

CCRIS 2598

ditertbutyl dicarbonate

EINECS 246-240-1

di-tert-butyl oxydiformate

UNII-Z10Q236C3G

tBoc2O

Di-tert-butyl dicarbonate (DIBOC)

diterbutyldicarbonate

ditertbutyldicarbonate

di t-butyldicarbonate

di-t butyldicarbonate

diterbutyl dicarbonate

diterbutyl-dicarbonate

t-Boc2O

Di-t-butyidicarbonate

di-tertbutyldicarbonate

ditert butyldicarbonate

ditertbutyl-dicarbonate

di t butyl dicarbonate

di t-butyl dicarbonate

di(t-butyl)dicarbonate

di-t -butyldicarbonate

di-t butyl dicarbonate

di-t butyl-dicarbonate

di-t-butylpyrocarbonate

di-ter-butyldicarbonate

di-terbutyl dicarbonate

di-tert-butydicarbonate

di-tert-butyldicarbonat

(tBoc)2O

Di-tert-buyldicarbonate

di tert butyldicarbonate

di tert-butyldicarbonate

di tert.butyldicarbonate

di-tert butyldicarbonate

di-tert-butyidicarbonate

di-tert.butyldicarbonate

di-tertbutyl dicarbonate

di-tertbutyl-dicarbonate

ditert-butyl dicarbonate

ditert-butyl-dicarbonate

ditert.butyl dicarbonate

Di-tert-butlydicarbonate

di-tertbutylpyrocarbonate

Ditert butyl dicarbonate

di(t-butyl) dicarbonate

di-(t-butyl)dicarbonate

di-ter-butyl dicarbonate

di-ter-butyl-dicarbonate

di-tert-butyl dicabonate

di-tert-butyl dicarbonat

di-tert-butyl-dicarbonat

di-tert.-butyldicarbonat

di-tert.butyl-dicarbonat

tert-butyl (tert-butoxycarbonyloxy)formate

Di-tert-buty dicarbonate

bis(t-butyl)pyrocarbonate

di tert butyl dicarbonate

di tert.-butyldicarbonate

di(t-butoxycarbonyl)ether

di(tert-butyl)dicarbonate

di-tert-butly-dicarbonate

di-tert.-butyldicarbonate

di-tert.butyl dicarbonate

di-tert.butyl-dicarbonate

O(Boc)2

(tBuO2C)2O

Di tert-butyl dicarbonate

Di-tert -butyldicarbonate

Di-tert-butyldicarbon-ate

di-tert-butylpyrocarbonate

di-tert.butylpyrocarbonate

di-tertbutyl-pyrocarbonate

(BOC)2O?Boc Anhydride

di-(t-butyl) dicarbonate

di-tertiarybutyldicarbonate

ditertiary butyldicarbonate

ditertiary-butyldicarbonate

ditertiarybutyl dicarbonate

bis(t-butoxycarbonyl)oxide

bis(tert-butyl)dicarbonate

Di-tert.-butyl-dicarbonat

(di-tert-butyl)dicarbonate

di (tert-butyl)dicarbonate

di(tert-butyl) dicarbonate

di(tert-butyl)-dicarbonate

di(tert.butyl) dicarbonate

di-(tert-butyl)dicarbonate

di-tert -butyl dicarbonate

di-tert-butyl di carbonate

di-tert-butyl- dicarbonate

di-tert. butyl dicarbonate

di-tert. butyl-dicarbonate

di-tert.-butyl dicarbonate

di-tert.-butyl-dicarbonate

di(tert-butyl)pyrocarbonate

di-tert-butyl-pyrocarbonate

di-tert.-butylpyrocarbonate

di-tert.butyl pyrocarbonate

ditert.-butyl pyrocarbonate

di-tertiary-butyldicarbonate

di-tertiarybutyl dicarbonate

ditertiary butyl dicarbonate

EC 246-240-1

t-Butoxycarboxylic anhydride

(t-BOC)2O

bis(t-butoxycarbonyl) oxide

bis(tert-butyl) dicarbonate

SCHEMBL5452

di(-tert.butyl) dicarbonate

di-(tert-butyl) dicarbonate

di-tert. butyl pyrocarbonate

di-tert.-butyl pyrocarbonate

di tertiary butyl dicarbonate

di-tertiary butyl dicarbonate

di-tertiary butyl-dicarbonate

di-tertiary-butyl dicarbonate

di-tertiary-butyl-dicarbonate

Di(tertiarybutyl) dicarbonate

di-tert. -butyl pyrocarbonate

tert-butoxycarboxylic anhydride

DTXSID4051904

CHEBI:48500

di(1,1-dimethylethyl)dicarbonate

bis(1,1-dimethylethyl)dicarbonate

dicarbonic acid di(t-butyl) ester

di(1,1-dimethylethyl) dicarbonate

pyrocarbonic acid di-t-butyl ester

Bis(1,1-dimethylethyl)dicarbonoate

BCP26395

bis(1,1'-dimethylethyl)dicarbonate

bis(1,1-dimethylethyl) dicarbonate

Bis(1,1-dimethylethyl)-dicarbonate

pyrocarbonic acid-di-tert-butylester

STR01939

tert-butoxycarboxylic acid anhydride

bis (1,1-dimethylethyl) dicarbonate

Bis(1,1-dimethylethyl) dicarbonoate

pyrocarbonic acid di-tert.butyl ester

pyrocarbonic acid-di-tert-butyl ester

1,1-dimethylethoxycarboxylic anhydride

AKOS000121490

DI-TERT-BUTYL DICARBONATE [MI]

MCULE-1408482476

Di-tert-butyl dicarbonate 1.0M in THF

pyrocarbonic acid ditertiary butyl ester

tert-butyl(tert-butoxycarbonyloxy)formate

BP-20551

Di-tert-butyl pyrocarbonate; Dicarbonic acid bis(1,1-dimethylethyl)ester; Pyrocarbonic acid di-tert-butyl ester

PD118138

AM20090273

CS-0017817

D1547

D3878

D3879

D3880

Di-tert-butyl dicarbonate, >=98.0% (GC)

NS00000554

tert-butyl[(tert-butyl)oxycarbonyloxy]formate

EN300-17516

tert-butyl [(tert-butyl)oxycarbonyloxy]formate

A15406

BOC anhydride;DIBOC;Di-tert-butyl dicarbonate

C90704

Di-tert-butyl dicarbonate 2.0M in Ethyl acetate

Di-tert-butyl dicarbonate, ReagentPlus(R), 99%

carbonic acid tert-butoxycarbonyl tert-butyl ester

Q175718

Di-tert-butyl dicarbonate, ReagentPlus(R), >=99%

Dicarbonic acid, 1,3-bis(1,1-dimethylethyl) ester

J-520400

(2-Methylpropan-2-yl)oxycarbonyl tert-butyl carbonate

F0001-0830

DICARBONIC ACID C,C'-BIS(1,1-DIMETHYLETHYL) ESTER

Microorganism:

Yes

IUPAC name

tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate

SMILES

CC(C)(C)OC(=O)OC(=O)OC(C)(C)C

Inchi

InChI=1S/C10H18O5/c1-9(2,3)14-7(11)13-8(12)15-10(4,5)6/h1-6H3

Formula

C₁₀H₁₈O₅

PubChem ID

90495

Molweight

218.25

LogP

2.7

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

anhydrides carbonates

CHEBI-ID

48500

Supernatural-ID

SN0078747

mVOC Specific Details

Massbank-Links

Massbank Spectrum MSBNK-Eawag-EQ315651

Massbank Spectrum MSBNK-Eawag-EQ315652

Massbank Spectrum MSBNK-Eawag-EQ315653

Massbank Spectrum MSBNK-Eawag-EQ315654

Massbank Spectrum MSBNK-Eawag-EQ315655

Massbank Spectrum MSBNK-Eawag-EQ315656

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Prokaryota	Bacillus Toyonensis	stimulate growth of Solanum tuberosum	isolate from Irish potato soils	Heenan-Daly et al. 2021
Prokaryota	Bacillus Mycoides	stimulate growth of Solanum tuberosum	isolate from Irish potato soils	Heenan-Daly et al. 2021
Prokaryota	Serratia Myotis		isolate from Irish potato soils	Heenan-Daly et al. 2021
Prokaryota	Pseudomonas Azotoformans	stimulate growth of Solanum tuberosum	isolate from Irish potato soils	Heenan-Daly et al. 2021

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Prokaryota	Bacillus Toyonensis	M+S (Murashige and Skoog) media	SPME/GC-MS	no
Prokaryota	Bacillus Mycoides	M+S (Murashige and Skoog) media	SPME/GC-MS	no
Prokaryota	Serratia Myotis	TSB media	SPME/GC-MS	no
Prokaryota	Pseudomonas Azotoformans	M+S (Murashige and Skoog) media	SPME/GC-MS	no

4-methyl-1,3-dioxolan-2-one

Compound Details

Synonymous names

PROPYLENE CARBONATE

108-32-7

4-Methyl-1,3-dioxolan-2-one

1,2-Propylene carbonate

1,2-Propanediol cyclic carbonate

Texacar PC

Arconate 5000

Cyclic propylene carbonate

1,2-Propanediol carbonate

1,3-Dioxolan-2-one, 4-methyl-

Dipropylene carbonate

1-Methylethylene carbonate

4-Methyldioxalone-2

1,2-Propanediyl carbonate

Cyclic 1,2-propylene carbonate

Propylene glycol cyclic carbonate

Cyclic methylethylene carbonate

4-Methyl-2-oxo-1,3-dioxolane

Carbonic acid, propylene ester

NSC 11784

Carbonic acid, cyclic propylene ester

Propylenester kyseliny uhlicite

HSDB 6806

Carbonic acid cyclic methylethylene ester

EINECS 203-572-1

Carbonic acid, cyclic propylene ether

NSC-11784

UNII-8D08K3S51E

BRN 0107913

DTXSID2026789

AI3-19724

8D08K3S51E

Propylenecarbonate, 99%

Propylene carbonate [NF]

DTXCID006789

EC 203-572-1

5-19-04-00021 (Beilstein Handbook Reference)

Propylene carbonate (NF)

WLN: T5OVOTJ D

PROPYLENE CARBONATE (II)

PROPYLENE CARBONATE [II]

PROPYLENE CARBONATE (MART.)

PROPYLENE CARBONATE [MART.]

PROPYLENE CARBONATE (USP-RS)

PROPYLENE CARBONATE [USP-RS]

CAS-108-32-7

PC-HP

4-methyl-1,3-dioxolane-2-one

Propylenester kyseliny uhlicite [Czech]

MFCD00798264

MFCD00798265

propylenecarbonate

Solvenon PC

propylen carbonate

MFCD00005385

Arconate propylene carbonate

SCHEMBL15309

R-1,2-Propanediol carbonate

1-propanediol cyclic carbonate

(S)-1,2-Propanediol carbonate

CHEMBL1733973

2-Oxo-4-methyl-1,3-dioxolane

1,2-PDC

4-methyl-[1,3]dioxolan-2-one

NSC1913

CHEBI:231185

1,3-dioxolane-2-one, 4-methyl

PROPYLENE CARBONATE [HSDB]

PROPYLENE CARBONATE [VANDF]

NSC-1913

NSC11784

Propylene carbonate (Battery grade)

Tox21_202047

Tox21_303214

BBL027518

STL373011

AKOS009158417

(S)-1,2-Propanediol cyclic carbonate

SB66353

Propylene carbonate, anhydrous, 99.7%

NCGC00165974-01

NCGC00165974-02

NCGC00256995-01

NCGC00259596-01

Propylene carbonate, for HPLC, 99.7%

BP-30108

BP-31155

SY008770

SY066861

DB-018081

Propylene carbonate, ReagentPlus(R), 99%

CS-0076373

NS00004305

P0525

D05633

EN300-296359

Propylene carbonate, anhydrous, Water 50ppm Max.

Propylene carbonate, Selectophore(TM), >=99.0%

Q415979

J-002116

Propylene carbonate, Vetec(TM) reagent grade, 98%

F0001-0165

Propylene carbonate, >=99%, acid <10 ppm, H2O <10 ppm

1,2-Propanediol cyclic carbonate, 4-Methyl-1,3-dioxolan-2-one

Propylene carbonate, United States Pharmacopeia (USP) Reference Standard

110320-40-6

Microorganism:

IUPAC name

4-methyl-1,3-dioxolan-2-one

SMILES

CC1COC(=O)O1

Inchi

InChI=1S/C4H6O3/c1-3-2-6-4(5)7-3/h3H,2H2,1H3

Formula

C₄H₆O₃

PubChem ID

7924

Molweight

102.09

LogP

-0.4

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

carbonates

CHEBI-ID

231185

mVOC Specific Details

Boiling Point

Degree	Reference
241.6 °C peer reviewed

Volatilization

The Henry's Law constant for propylene carbonate is estimated as 3.5X10-8 atm-cu m/mole(SRC) derived from its vapor pressure, 0.045 mm Hg(1), and water solubility, 1.75X10+5 mg/L(2). This Henry's Law constant indicates that propylene carbonate is expected to be essentially nonvolatile from water and moist soil surfaces(3). Propylene carbonate 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 propylene carbonate can be estimated to be 5(SRC). According to a classification scheme(2), this estimated Koc value suggests that propylene carbonate is expected to have very high mobility in soil.

Vapor Pressure

Pressure	Reference
0.04

Massbank-Links

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP003401

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
	Aspergillus Flavus			Kate et al. 2023

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
	Aspergillus Flavus	inoculated potato samples	GC-MS	no

Ethyl Octadecyl Carbonate

Compound Details

Synonymous names

Carbonic acid, ethyl octadecyl ester

Octadecylathylkarbonat

SCHEMBL1840756

BRWOFLDFDNHGFZ-UHFFFAOYSA-N

Microorganism:

Yes

IUPAC name

ethyl octadecyl carbonate

SMILES

CCCCCCCCCCCCCCCCCCOC(=O)OCC

Inchi

InChI=1S/C21H42O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-21(22)23-4-2/h3-20H2,1-2H3

Formula

C₂₁H₄₂O₃

PubChem ID

6421508

Molweight

342.6

LogP

9.6

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

carbonates

mVOC Specific Details

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
	Fusarium Graminearum			Ballot et al. 2023
	Microbacterium			Ballot et al. 2023

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
	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

Results for: chemical Classification: carbonates

Octadecyl Phenyl Carbonate

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[(E)-hex-3-enyl] 2-methylpropyl Carbonate

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4-methylpentan-2-yl Propyl Carbonate

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Decan-2-yl Ethyl Carbonate

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Dipentyl Carbonate

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Decyl Nonyl Carbonate

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Ethenyl Undecyl Carbonate

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2-ethylhexyl 2-methylpropyl Carbonate

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Tert-butyl (2-methylpropan-2-yl)oxycarbonyl Carbonate

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4-methyl-1,3-dioxolan-2-one

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Ethyl Octadecyl Carbonate

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Results for:
chemical Classification: carbonates