Results for:
chemical Classification: alkynes

Compound Details

Synonymous names
5,6-Decadien-3-yne, 5,7-diethyl-
61227-89-2
5,7-Diethyl-5,6-decadien-3-yne
DTXSID80344212
HFTHVMPRQHDBBN-UHFFFAOYSA-N
5,7-Diethyl-5,6-decadien-3-yne #
DB-317035
Microorganism:

No

IUPAC name
SMILESCCCC(=C=C(CC)C#CCC)CC
InchiInChI=1S/C14H22/c1-5-9-11-14(8-4)12-13(7-3)10-6-2/h5-8,10H2,1-4H3
FormulaC14H22
PubChem ID595131
Molweight190.32
LogP5.2
Atoms14
Bonds5
H-bond Acceptor0
H-bond Donor0
Chemical Classificationalkynes unsaturated hydrocarbons
Supernatural-IDSN0124398

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaVerticillium Longisporumcollection TU GrazRybakova et al. 2017
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaVerticillium Longisporumpotato dextrose agar (PDA), Czapek Dox liquid cultureGC-MS / SPMEno


1-prop-1-ynylcyclohexene

Compound Details

Synonymous names
Cyclohexene, 1-(1-propynyl)-
1-prop-1-ynylcyclohexene
1655-05-6
1-(1-Cyclohexenyl)-1-propyne
1-(1-propynyl)cyclohexene
DTXSID50341990
1-(1-Propynyl)-1-cyclohexene #
Microorganism:

No

IUPAC name1-prop-1-ynylcyclohexene
SMILESCC#CC1=CCCCC1
InchiInChI=1S/C9H12/c1-2-6-9-7-4-3-5-8-9/h7H,3-5,8H2,1H3
FormulaC9H12
PubChem ID577619
Molweight120.19
LogP2.8
Atoms9
Bonds1
H-bond Acceptor0
H-bond Donor0
Chemical Classificationalkynes unsaturated hydrocarbons

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaHypoxylon AnthochroumNAMacías-Rubalcava et al. 2018
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaHypoxylon Anthochroumrice medium (RM, 300g of rice and 300ml of water)SPME, GC-MSyes


Tridec-6-yne

Compound Details

Synonymous names
6-Tridecyne
6-C13H24
42371-66-4
tridec-6-yne
6-Tridecane
6-Tridecyne #
DTXSID30962440
DFZSEVCTTZHGAS-UHFFFAOYSA-N
Microorganism:

Yes

IUPAC nametridec-6-yne
SMILESCCCCCCC#CCCCCC
InchiInChI=1S/C13H24/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-11H2,1-2H3
FormulaC13H24
PubChem ID142600
Molweight180.33
LogP6.1
Atoms13
Bonds7
H-bond Acceptor0
H-bond Donor0
Chemical Classificationalkynes unsaturated hydrocarbons
Supernatural-IDSN0064746

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaPseudomonas AeruginosaNANANeerincx et al. 2016
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaPseudomonas AeruginosaBrain Heart InfusionTD/GC-MSno


Non-3-yne

Compound Details

Synonymous names
3-Nonyne
20184-89-8
non-3-yne
3-C9H16
Amylethylacetylene
Ethylpentylacetylene
SRRDSRCWRHKEKU-UHFFFAOYSA-
DTXSID60174014
MFCD00039977
AKOS015842688
DB-045122
N0319
T72039
ETHYL2-ETHYL-4,4,4-TRIFLUORO-3-OXOBUTYRATE
InChI=1/C9H16/c1-3-5-7-9-8-6-4-2/h3-5,7,9H2,1-2H3
Microorganism:

Yes

IUPAC namenon-3-yne
SMILESCCCCCC#CCC
InchiInChI=1S/C9H16/c1-3-5-7-9-8-6-4-2/h3-5,7,9H2,1-2H3
FormulaC9H16
PubChem ID140649
Molweight124.22
LogP3.9
Atoms9
Bonds3
H-bond Acceptor0
H-bond Donor0
Chemical Classificationalkynes unsaturated hydrocarbons

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaLactobacillus PlantarumNANAZhang et al. 2022
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaLactobacillus Plantarumchickpea milkUHPLC/MSno


Prop-1-ynylbenzene

Mass-Spectra

Compound Details

Synonymous names
1-Phenyl-1-propyne
673-32-5
Prop-1-yn-1-ylbenzene
Prop-1-ynylbenzene
Benzene, 1-propynyl-
Methylphenylacetylene
1-Phenylpropyne
phenylpropyne
1-Propynylbenzene
Prop-1-ynyl-benzene
MFCD00009272
1-Methyl-2-phenylacetylene
CHEMBL105998
448376BFQC
53621-07-1
1-Phenylpropyne-1
UNII-448376BFQC
Methylphenylethyne
Phenylmethylacetylene
EINECS 211-607-7
1-penyl-1-propine
1-phenyl-1-propine
Propyne, 1-phenyl-
(prop-1-yn-1-yl)benzene
ghl.PD_Mitscher_leg0.471
1-Phenyl-1-propyne, 99%
DTXSID10217667
BDBM50026185
AKOS015888271
CS-W013608
MCULE-3601815161
CS-17361
SY048557
DB-055018
NS00042390
P0219
D71012
EN300-315540
Q27258719
InChI=1/C9H8/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,1H
Microorganism:

Yes

IUPAC nameprop-1-ynylbenzene
SMILESCC#CC1=CC=CC=C1
InchiInChI=1S/C9H8/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,1H3
FormulaC9H8
PubChem ID69601
Molweight116.16
LogP3
Atoms9
Bonds1
H-bond Acceptor0
H-bond Donor0
Chemical Classificationalkynes unsaturated hydrocarbons

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaMycobacterium TuberculosisNANAMellors et al. 2018
EukaryotaTuber BrumaleFortywoodland of the Basilicata regionMauriello et al. 2004
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaMycobacterium Tuberculosis7H9TD/GCxGC-MSno
EukaryotaTuber Brumalemicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)no


Dec-1-yne

Compound Details

Synonymous names
1-DECYNE
764-93-2
dec-1-yne
Decyne
Octylacetylene
n-Octylacetylene
ULR28GD98Q
27381-15-3
MFCD00009576
1-Decyne, 98%
UNII-ULR28GD98Q
decine
deca-1-yne
EINECS 212-132-8
CHEBI:87322
DTXSID60870766
AKOS015836221
GS-6899
MCULE-3452683648
1-C10H18
SY048328
DB-019148
D0037
NS00042496
F11366
EN300-1692834
A838723
Q3486511
Microorganism:

Yes

IUPAC namedec-1-yne
SMILESCCCCCCCCC#C
InchiInChI=1S/C10H18/c1-3-5-7-9-10-8-6-4-2/h1H,4-10H2,2H3
FormulaC10H18
PubChem ID12997
Molweight138.25
LogP4.6
Atoms10
Bonds6
H-bond Acceptor0
H-bond Donor0
Chemical Classificationalkynes unsaturated hydrocarbons
CHEBI-ID87322
Supernatural-IDSN0148757

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaCandida AlbicansNAKarami et al. 2017
ProkaryotaEscherichia ColiNAKarami et al. 2017
ProkaryotaStaphylococcus AureusNAKarami et al. 2017
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaCandida AlbicansMueller Hinton broth (MB), tryptic soy broth (TSB)SPME, DVB/CAR/PDMS, GC-MSno
ProkaryotaEscherichia ColiMueller Hinton broth (MB), tryptic soy broth (TSB)SPME, DVB/CAR/PDMS, GC-MSno
ProkaryotaStaphylococcus AureusMueller Hinton broth (MB), tryptic soy broth (TSB)SPME, DVB/CAR/PDMS, GC-MSno


3,6-dimethoxy-9-(2-phenylethynyl)fluoren-9-ol

Compound Details

Synonymous names
Fluoren-9-ol, 3,6-dimethoxy-9-(2-phenylethynyl)-
NBXSDRNTJOXRMZ-UHFFFAOYSA-N
3,6-dimethoxy-9-(2-phenylethynyl)-fluoren-9-ol
3,6-Dimethoxy-9-(phenylethynyl)-9H-fluoren-9-ol #
Microorganism:

Yes

IUPAC name3,6-dimethoxy-9-(2-phenylethynyl)fluoren-9-ol
SMILESCOC1=CC2=C(C=C1)C(C3=C2C=C(C=C3)OC)(C#CC4=CC=CC=C4)O
InchiInChI=1S/C23H18O3/c1-25-17-8-10-21-19(14-17)20-15-18(26-2)9-11-22(20)23(21,24)13-12-16-6-4-3-5-7-16/h3-11,14-15,24H,1-2H3
FormulaC23H18O3
PubChem ID631096
Molweight342.4
LogP4.3
Atoms26
Bonds4
H-bond Acceptor3
H-bond Donor1
Chemical Classificationaromatic compounds alkynes alcohols benzenoids ethers

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaShewanella Algaenasea sediment in east China coastGong et al. 2015
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaShewanella AlgaeNA mediumSPME-GC/MSno


Acetylene

Mass-Spectra

Compound Details

Synonymous names
ACETYLENE
Ethyne
Acetylen
Narcylen
Ethine
Vinylene
74-86-2
Azetylen
C2H2
Ethin
CH#CH
HC#CH
ACETYLENE (D1)
[CH(CH)]
OC7TV75O83
CHEBI:27518
ACETYLENE (1,2-13C2)
Ethenylene
HSDB 166
EINECS 200-816-9
UN1001
UNII-OC7TV75O83
Dicarbon
Diatomic carbon
Welding Gas
Acetylene, dissolved
Carbon (C2)
ACETYLENE [MI]
ACETYLENE [HSDB]
EC 200-816-9
60382-96-9
CHEMBL116336
DTXSID6026379
DTXSID40175448
DTXSID101027115
c0526
MCULE-9422154630
UN 1001
NS00001585
C01548
Acetylene, dissolved [UN1001] [Flammable gas]
Q133145
Q3591986
12070-15-4
Microorganism:

Yes

IUPAC nameacetylene
SMILESC#C
InchiInChI=1S/C2H2/c1-2/h1-2H
FormulaC2H2
PubChem ID6326
Molweight26.04
LogP0.4
Atoms2
Bonds0
H-bond Acceptor0
H-bond Donor0
Chemical Classificationalkynes
CHEBI-ID27518
Supernatural-IDSN0134026

mVOC Specific Details

Boiling Point
DegreeReference
84.7 °C peer reviewed
Volatilization
The Henry's Law constant for acetylene is estimated as 2.2X10-2 atm-cu m/mole(SRC) derived from its vapor pressure, 3.65X10+4 mm Hg(1), and water solubility, 1,200 mg/L(2). This Henry's Law constant indicates that acetylene 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 1.5 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 2 days(SRC). Acetylene's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of acetylene from dry soil surfaces will exist(SRC) based upon its vapor pressure(1).
Literature: (1) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, DC: Taylor and Francis (1998) (2) Yalkowsky SH et al; Handbook of Aqueous Solubility Data. 2nd ed. Boca Ratin, FL: CRC Press, p. 20 (2010) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990)
Soil Adsorption
The Koc of acetylene is estimated as 2(SRC), using a log Kow of 0.37(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that acetylene is expected to have very high mobility in soil. Less than 1 ppm of gas acetylene was absorbed to dry soil and a maximum of 90 ppm of acetylene was absorbed to moist soil samples taken from 6 soil samples from Oregon, Iowa and Saskatchewan, Canada(4).
Literature: (1) Hansch C et al; Exploring QSAR. Hydrophobic, Electronic, and Steric Constants. ACS Prof Ref Book. Heller SR, consult. ed., Washington, DC: Amer Chem Soc p. 4 (1995) (2) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of Jan 15, 2014: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (3) Swann RL et al; Res Rev 85: 17-28 (1983) (4) Smith et al.; Soil Science 116: 313-319 (1973)
Vapor Pressure
PressureReference
3.65X10+4 mm Hg at 25 deg C (est)Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, DC: Taylor and Francis (1998)

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaBacillus Toyonensisisolate from Irish potato soilsHeenan-Daly et al. 2021
ProkaryotaBacillus Amyloliquefaciensn/aNALee et al. 2012
ProkaryotaBacillus Subtilisn/aNALee et al. 2012
ProkaryotaPaenibacillus Polymyxan/aNALee et al. 2012
EukaryotaPenicillium Digitatumn/aNAStotzky and Schenck 1976
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaBacillus ToyonensisTSB mediaSPME/GC-MSno
ProkaryotaBacillus AmyloliquefaciensTryptic soy agarSPME coupled with GC-MSno
ProkaryotaBacillus SubtilisTryptic soy agarSPME coupled with GC-MSno
ProkaryotaPaenibacillus PolymyxaTryptic soy agarSPME coupled with GC-MSno
EukaryotaPenicillium Digitatumn/an/ano


Dodec-1-yne

Compound Details

Synonymous names
1-Dodecyne
765-03-7
dodec-1-yne
Dodecyne
1-C12H22
MFCD00008960
1-Dodecyne, 98%
Decylacetylene
1dodecyne
1 -dodecyne
dodec-1-yn
EINECS 212-134-9
VFQ6MTZ92V
DTXSID4061094
AKOS015836222
AS-46788
SY049655
DB-056072
CS-0180906
D0997
NS00037799
F10501
Microorganism:

Yes

IUPAC namedodec-1-yne
SMILESCCCCCCCCCCC#C
InchiInChI=1S/C12H22/c1-3-5-7-9-11-12-10-8-6-4-2/h1H,4-12H2,2H3
FormulaC12H22
PubChem ID69821
Molweight166.3
LogP5.7
Atoms12
Bonds8
H-bond Acceptor0
H-bond Donor0
Chemical Classificationunsaturated hydrocarbons alkynes
Supernatural-IDSN0481080

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
Saccharomyces CerevisiaeQin et al. 2024
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
Saccharomyces Cerevisiaefermentation of mulberry wineHS-SPME-GC-MSno


2,2,5,5-tetramethylhex-3-yne

Compound Details

Synonymous names
Di-t-butylacetylene
17530-24-4
2,2,5,5-tetramethylhex-3-yne
2,2,5,5-Tetramethyl-3-hexyne
3-hexyne, 2,2,5,5-tetramethyl-
2,2,5,5-Tetramethyl-2-hexyne
Di-tert-butylethyne
DTXSID60169965
FXVDWKZNFZMSOU-UHFFFAOYSA-N
2,2,5,5-tetramethyl-hex-3-yne
2,2,5,5-Tetramethyl-3-hexyne #
(tert-C4H9)C.$.C(tert-C4H9)
AKOS006283307
NS00095834
InChI=1/C10H18/c1-9(2,3)7-8-10(4,5)6/h1-6H
Microorganism:

Yes

IUPAC name2,2,5,5-tetramethylhex-3-yne
SMILESCC(C)(C)C#CC(C)(C)C
InchiInChI=1S/C10H18/c1-9(2,3)7-8-10(4,5)6/h1-6H3
FormulaC10H18
PubChem ID140241
Molweight138.25
LogP4
Atoms10
Bonds2
H-bond Acceptor0
H-bond Donor0
Chemical Classificationalkynes unsaturated hydrocarbons

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
Cyberlindnera FabianiiMa et al. 2023
Lactobacillus PlantarumMa et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
Cyberlindnera Fabianiituna cooking liquidHS-SPME-GC/MSno
Lactobacillus Plantarumtuna cooking liquidHS-SPME-GC/MSno


Non-2-yne

Compound Details

Synonymous names
2-Nonyne
19447-29-1
non-2-yne
2-C9H16
DTXSID10173077
MFCD00039986
AKOS015841157
Microorganism:

Yes

IUPAC namenon-2-yne
SMILESCCCCCCC#CC
InchiInChI=1S/C9H16/c1-3-5-7-9-8-6-4-2/h3,5,7-9H2,1-2H3
FormulaC9H16
PubChem ID140536
Molweight124.22
LogP4
Atoms9
Bonds4
H-bond Acceptor0
H-bond Donor0
Chemical Classificationalkynes unsaturated hydrocarbons

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
Lactobacillus PlantarumMa et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
Lactobacillus Plantarumtuna cooking liquidHS-SPME-GC/MSno