Results for:
chemical Classification: diols

Ethane-1,2-diol

Compound Details

Synonymous names
ETHYLENE GLYCOL
Ethane-1,2-diol
1,2-ethanediol
107-21-1
glycol
monoethylene glycol
1,2-Dihydroxyethane
2-hydroxyethanol
Glycol alcohol
Ethylene alcohol
Macrogol
Fridex
Tescol
Ethylene dihydrate
Norkool
Macrogol 400 BPC
Dowtherm SR 1
Zerex
Ucar 17
Lutrol-9
ethanediol
ethyleneglycol
Aethylenglykol
Glycol, ethylene-
1,2-Ethandiol
1,2-ethylene glycol
Caswell No. 441
146AR
NSC 93876
Athylenglykol
CCRIS 3744
ethylen glycol
DTXSID8020597
HSDB 5012
M.e.g.
NCI-C00920
UNII-FC72KVT52F
EINECS 203-473-3
FC72KVT52F
Lutrol 9
MFCD00002885
EPA Pesticide Chemical Code 042203
NANOSILVER+EG
PEG
CHEBI:30742
AI3-03050
HOCH2CH2OH
NSC-93876
LOWENOL T-163A
DTXCID40597
37225-26-6
EC 203-473-3
ETHYLENE GLYCOL (II)
ETHYLENE GLYCOL [II]
ETHYLENE GLYCOL (MART.)
ETHYLENE GLYCOL [MART.]
Ethylenglycol
Aethylenglykol [German]
ethylene-glycol
2 Hydroxyethanol
Glycol, Ethylene
PEG 1000
CAS-107-21-1
GLYCEROL IMPURITY B (EP IMPURITY)
GLYCEROL IMPURITY B [EP IMPURITY]
Macrogol 400
Glycol, Monoethylene
Dowtherm 4000
1,2-dihydroxy ethane
WLN: Q2Q
ethyleneglycole
ehtylene glycol
etylene glycol
2-ethanediol
Ilexan E
4-vinyl cathecol
MEG 100
Solbanon (TN)
1,2-ethane diol
1,2-ethane-diol
ethane-1.2-diol
GXT
Hydroxyethyl Salicylate Imp. B (EP); Ethylene Glycol; Propan-1,2-diol; Glycerol Impurity B; Hydroxyethyl Salicylate Impurity B
1,2-ethyleneglycol
ethan-1,2-diol
mono-ethylene glycol
Ethane-1,2-diol (Ethylene Glycol)
Mono Ethylene Glycol
1,2-ethylene-glycol
Lutrol E (TN)
YLENE GLYCOL
1,2-Ethylene Glycol (Ethylene Glycol)
Kollisolv PEG 300
DuPont Zonyl FSO Fluorinated Surfactants
Ethylene glycol, aerosol
GLYCOL [INCI]
Macrogol 400 (TN)
Ethylene glycol 1000 microg/mL in Methanol
Ethyleneglycol, ReagentPlus
Macrogol 1500 (TN)
Macrogol 4000 (TN)
Macrogol 6000 (TN)
Macrogol ointment (JP17)
HO-CH2-CH2-OH
HO(CH2)2OH
NCIOpen2_001979
NCIOpen2_002019
NCIOpen2_002100
Macrogol 400 (JP17)
ETHYLENE GLYCOL [MI]
MLS002454404
BIDD:ER0283
Macrogol 1500 (JP17)
Macrogol 4000 (JP17)
Macrogol 6000 (JP17)
Poly(ethylene Glycol) ~200
Poly(ethylene Glycol) ~400
Poly(ethylene Glycol) ~600
ETHYLENE GLYCOL [HSDB]
CHEMBL457299
Poly(ethylene Glycol) ~1000
Poly(ethylene Glycol) ~2000
Poly(ethylene Glycol) ~4000
Poly(ethylene Glycol) ~6000
Poly(ethylene Glycol) ~9000
Ethylene glycol, AR, >=99%
Ethylene glycol, LR, >=99%
Macrogol 20000 (JP17)
CHEBI:46793
ETHYLENE GLYCOL [USP-RS]
ETHYLENE GLYCOL [WHO-DD]
PEG1000
Poly(ethylene Glycol) ~20000
HMS2267F07
Ethylene glycol, p.a., 99.5%
Poly(ethylene Glycol) ~30,000
Poly(ethylene Glycol) ~40,000
1,2-ETHANEDIOL (GLYCOL)
AMY22336
Ethylene Glycol Blank Standard in Multi-grade Diesel Engine Oil
NSC32853
NSC32854
NSC57859
NSC93876
PEG 3600
PEG-1000
STR01171
Ethylene glycol, analytical standard
Tox21_202038
Tox21_300637
Ethylene glycol, anhydrous, 99.8%
NSC-32853
NSC-32854
NSC-57859
NSC152324
NSC152325
NSC155081
STL264188
100 microg/g Ethylene Glycol Standard in Multi-grade Diesel Engine Oil
1000 microg/g Ethylene Glycol Standard in Multi-grade Diesel Engine Oil
2000 microg/g Ethylene Glycol Standard in Multi-grade Diesel Engine Oil
500 microg/g Ethylene Glycol Standard in Multi-grade Diesel Engine Oil
AKOS000119039
MCULE-6366313128
NSC-152324
NSC-152325
NSC-155081
USEPA/OPP Pesticide Code: 042203
NCGC00091510-01
NCGC00091510-02
NCGC00091510-03
NCGC00254292-01
NCGC00259587-01
BP-13454
BP-31056
SMR001262244
Ethylene glycol, ReagentPlus(R), >=99%
>99% (GC)
DuPont Zonyl FSE Fluorinated Surfactants
Residual Solvent Class 2 - Ethylene Glycol
E0105
Ethylene glycol, puriss., >=99.5% (GC)
NS00003552
1,2-Ethane-1,1,2,2-d4-diol-d2(9ci)
EN300-19312
Ethylene glycol, BioUltra, >=99.5% (GC)
Ethylene glycol, SAJ first grade, >=99.0%
C01380
D03370
D06418
D06419
D06420
D06421
D06422
D06423
Ethylene glycol, JIS special grade, >=99.5%
Ethylene glycol, anhydrous, ZerO2(TM), 99.8%
Ethylene glycol, Vetec(TM) reagent grade, 98%
A851234
Ethylene glycol, spectrophotometric grade, >=99%
Q194207
InChI=1/C2H6O2/c3-1-2-4/h3-4H,1-2H
J-001731
F0001-0142
004143F9-240E-472F-9D5A-B1B13BBA2A18
Ethylene glycol, United States Pharmacopeia (USP) Reference Standard
600 microg/g Ethylene Glycol QC Check Standard in Multi-grade Diesel Engine Oil
Ethylene glycol, Pharmaceutical Secondary Standard; Certified Reference Material
ethylene glycol;1,2-ethanediol;ethane-1,2-diol;glycolethylene glycol;ethanediol;ethylene glycol 1,2-ethanediol ethane-1,2-diol glycolethylene glycol ethanediol
Residual Solvent Class 2 - Ethylene Glycol, United States Pharmacopeia (USP) Reference Standard
Microorganism:

Yes

IUPAC nameethane-1,2-diol
SMILESC(CO)O
InchiInChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2
FormulaC2H6O2
PubChem ID174
Molweight62.07
LogP-1.4
Atoms4
Bonds1
H-bond Acceptor2
H-bond Donor2
Chemical Classificationalcohols glycols diols
CHEBI-ID30742
Supernatural-IDSN0218564

mVOC Specific Details

Boiling Point
DegreeReference
197.3 °C peer reviewed
Volatilization
The Henry's Law constant for ethylene glycol is 6.00X10-8 atm-cu m/mole(1). This Henry's Law constant indicates that ethylene glycol is expected to be essentially nonvolatile from water surfaces(2). Ethylene glycol's Henry's Law constant indicates that volatilization from moist soil surfaces is not expected(SRC). Ethylene glycol is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 0.0878 mm Hg at 25 °C(3).
Soil Adsorption
The Koc of ethylene glycol is estimated as 0.2(SRC), using a log Kow of -1.36(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that ethylene glycol is expected to have very high mobility in soil(SRC). Percent adsorption to 4 soils (two clay and two sandy clay soils) ranged from 0-0.5% indicating that this compound is not readily adsorbed to these soils and should have high mobility(4). Desorption was almost complete at the end of a 4 hour experiment using the same soils and a montmorillonite sample(4). Leaching experiments with undisturbed soil cores of sandy till showed that 14C-labelled ethylene glycol closely followed the movement of water when chloride was used as a tracer; no adsorption was observed for this compound onto subhorizons of sandy till, clayey till, and melt water sand(5).
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaPseudomonas AeruginosaNANAZhu et al. 2010
ProkaryotaStaphylococcus AureusNANAZhu et al. 2010
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaPseudomonas AeruginosaTSBSESI-MSno
ProkaryotaStaphylococcus AureusTSBSESI-MSno


Butane-2,3-diol

Mass-Spectra

Compound Details

Synonymous names
2,3-butanediol
513-85-9
Butane-2,3-diol
2,3-butylene glycol
2,3-Dihydroxybutane
Dimethylene glycol
Dimethylethylene glycol
Pseudobutylene glycol
Sym-dimethylethylene glycol
DL-2,3-Butanediol
123513-85-9
MFCD00004523
DTXSID8041321
CHEBI:62064
(2S,3S)-(+)2,3-Butanediol
NISTC6982258
2,3-Butanediol, (R*,R*)-(.+/-.)-
2,3-butanodiol
35007-63-7
Butan-2,3-diol
CCRIS 5501
HSDB 1505
EINECS 208-173-6
BRN 0969165
2,3-Butanediol; >98%
UNII-45427ZB5IJ
(+/-)-2,3-BUTANEDIOL
NSC-249246
2.3-butanediol
2,3-butane diol
butane 2,3-diol
2,3-Butandiol
a 2,3-butanediol
2d-Pharmalyte(9ci)
a butane-2,3-diol
dimethyl ethyleneglycol
2,3-dihydroxy butane
2,3-dihydroxy-butane
D-2,3-Butane diol
dimethyl ethylene glycol
levo-butane-2,3-diol
meso-2,3-butane diol
a 2,3-butylene glycol
2,3-Butanediol (DL)
2,3-Butanediol, 98%
DL-2,3-BUTANDIOL
EC 208-173-6
4-01-00-02524 (Beilstein Handbook Reference)
CHEMBL2312529
DTXCID6021321
45427ZB5IJ
(2R,3R)-(-)2,3-Butanediol
Tox21_300789
NSC249246
AKOS009031391
SB44226
SB44692
NCGC00248169-01
NCGC00254693-01
CAS-513-85-9
SY047189
SY057405
DB-027533
DB-243178
DB-335823
HY-128387
B0681
CS-0099502
NS00077458
S6040
EN300-19321
F14836
2,3-Butanediol, Vetec(TM) reagent grade, 98%
Q209157
METHYL5-ACETYL-3-ETHYLISOXAZOLE-4-CARBOXYLATE
F0001-1337
Z104473532
InChI=1/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H
Microorganism:

Yes

IUPAC namebutane-2,3-diol
SMILESCC(C(C)O)O
InchiInChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3
FormulaC4H10O2
PubChem ID262
Molweight90.12
LogP-0.9
Atoms6
Bonds1
H-bond Acceptor2
H-bond Donor2
Chemical Classificationalcohols diols
CHEBI-ID62064
Supernatural-IDSN0276724

mVOC Specific Details

Boiling Point
DegreeReference
182 deg C at 1 atmRiddick, J.A., W.B. Bunger, Sakano T.K. Techniques of Chemistry 4th ed., Volume II. Organic Solvents. New York, NY: John Wiley and Sons., 1985., p. 270
Volatilization
The Henry's Law constant for 2,3-butanediol is estimated as 2.9X10-8 atm-cu m/mole(SRC) derived from its vapor pressure, 0.24 mm Hg(1), and an assigned value for water solubility of 1.0X10+6 mg/L (miscible)(2). This Henry's Law constant indicates that 2,3-butanediol is expected to be essentially nonvolatile from water surfaces(3). 2,3-Butanediol is not expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure of 0.24 mm Hg(1).
Literature: (1) NIST; Chemistry WebBook. National Institute of Standards and Technology Standard Reference Database Number 69 - March 2003 Release, Available from the query page at http://webbook.nist.gov/chemistry as of Mar 3, 2005. (2) Riddick JA et al; Techniques of Chemistry. 4th ed. Vol II. Organic Solvents. NY, NY: John Wiley and Sons p. 270 (1985) (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 2,3-butanediol is estimated as 7.5(SRC), using a log Kow of -0.92(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that 2,3-butanediol is expected to have very high mobility in soil.
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. 10 (1995) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 4-9 (1990) (3) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
0.243 mm Hg at 25 deg CNIST; Chemistry WebBook. National Institute of Standards and Technology Standard Reference Database Number 69 - March 2003 Release, Available from the query page at http://webbook.nist.gov/chemistry
MS-Links
1D-NMR-Links
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaCandida AlbicansNANAFitzgerald et al. 2022
EukaryotaCandida ParapsilosisNANAFitzgerald et al. 2022
ProkaryotaStaphylococcus Saccharolyticusclinical isolateLemfack et al. 2016
ProkaryotaStaphylococcus Warnericlinical isolate,human skinLemfack et al. 2016
ProkaryotaErwinia AmylovoraNACellini et al. 2018
ProkaryotaBacillus Sp.KX395632.1Fincheira et al. 2017
ProkaryotaBacillus AmyloliquefaciensInhibition of fusarium oxysporum f.sp. Niveum; fresh weight of Arabidopsis seedlings increasedrhizosphere soils of watermelon plantsWu et al. 2019
ProkaryotaBacillus Amyloliquefaciens0rhizosphere soils of watermelon plantsWu et al. 2019
ProkaryotaPaenibacillus PolymyxaNAMülner et al. 2021
EukaryotaAspergillus FlavusITEM collection of CNR-ISPA (Research National Council of Italy - Institute of Sciences of Food Production) in Bari, ItalyJosselin et al. 2021
ProkaryotaBacillus Amyloliquefaciensstimulate growth of Solanum tuberosumcommercial strainHeenan-Daly et al. 2021
ProkaryotaBacillus Toyonensisstimulate growth of Solanum tuberosumisolate from Irish potato soilsHeenan-Daly et al. 2021
ProkaryotaBacillus Mycoidesstimulate growth of Solanum tuberosumisolate from Irish potato soilsHeenan-Daly et al. 2021
ProkaryotaSerratia Myotisisolate from Irish potato soilsHeenan-Daly et al. 2021
ProkaryotaPseudomonas Pseudoalcaligenespromotes the growth of Zea mays L. and confer the resistance to drought stress in this maizeApplied Microbiology and Biotechnology lab, Department of Biosciences, Comsats University IslamabadYasmin et al. 2021
ProkaryotaPantoea Vagansantifungal effect on the growth of Alternaria alternata, Corynespora cassiicola and Stemphylium lycopersici (pathogens of tomato plants)leaves of tomato plants (Elpida F1, Enza Zaden) with symptoms of Gray leaf spotLópez et al. 2021
ProkaryotaBacillus Sp.antifungal effect on the growth of Alternaria alternata, Corynespora cassiicola and Stemphylium lycopersici (pathogens of tomato plants)NALópez et al. 2021
ProkaryotaPaenibacillus Polymyxaantifungal effects against Rhizopus stoloniferisolated from an ancient tree Cryptomeria fortune and deposited in China General Microbiological Culture Collection Center (CGMCC No. 15733)Wu et al. 2020
ProkaryotaBacillus Velezensisinhibite the growth of Botrytis cinerea VG1, Monilinia fructicola VG 104, Monilinia laxa VG 105, Penicillium digitatum VG 20, Penicillium expansum CECT 20140, Penicillium italicum VG 107NACalvo et al. 2020
ProkaryotaBacillus Velezensisinhibite the growth of Botrytis cinerea VG1, Monilinia fructicola VG 104, Monilinia laxa VG 105, Penicillium digitatum VG 20, Penicillium expansum CECT 20140, Penicillium italicum VG 117NACalvo et al. 2020
ProkaryotaBacillus VelezensisNARiu et al. 2022
EukaryotaMrakia Blollopisinhibitory and promoting effects on the growth of different microorganismsisolate from Saxifraga cespitosa, Ny-Ålesund (Svalbard Archipelago, Arctic); CCTCC (China Center for Type Culture Collection, Wuhan, Hubei, China)Niu et al. 2022
EukaryotaTausonia Pullulansinhibitory and promoting effects on the growth of different microorganismsisolate from Silene acaulis, Ny-Ålesund (Svalbard Archipelago, Arctic); CCTCC (China Center for Type Culture Collection, Wuhan, Hubei, China)Niu et al. 2022
EukaryotaCystofilobasidium Sp.inhibitory and promoting effects on the growth of different microorganismsisolate from Silene acaulis, Ny-Ålesund (Svalbard Archipelago, Arctic); CCTCC (China Center for Type Culture Collection, Wuhan, Hubei, China)Niu et al. 2022
EukaryotaCystofilobasidium Capitatuminhibitory and promoting effects on the growth of different microorganismsisolate from Silene acaulis, Ny-Ålesund (Svalbard Archipelago, Arctic); CCTCC (China Center for Type Culture Collection, Wuhan, Hubei, China)Niu et al. 2022
ProkaryotaBacillus SubtilisInduce growth promotion (leaf surface area), systemic resistance (ISR) and regulate auxin homeostasis in Arabidopsis thaliana.NARyu et al. 2003
ProkaryotaBacillus AmyloliquefaciensInduce growth promotion (leaf surface area), systemic resistance (ISR) and regulate auxin homeostasis in Arabidopsis thaliana.NARyu et al. 2003
ProkaryotaClostridium Sp.n/aNAStotzky and Schenck 1976
EukaryotaTuber Borchiin/aNASplivallo et al. 2007
EukaryotaTuber Melanosporumn/aNASplivallo et al. 2007
EukaryotaTuber Mesentericumn/aFortywoodland of the Basilicata regionMauriello et al. 2004
EukaryotaTuber Aestivumn/aFortywoodland of the Basilicata regionMauriello et al. 2004
ProkaryotaChromobacterium Violaceumn/aNABlom et al. 2011
ProkaryotaSerratia Proteamaculansn/aNABlom et al. 2011
ProkaryotaStenotrophomonas Rhizophilan/aNABlom et al. 2011
ProkaryotaBurkholderia Thailandensisn/aNABlom et al. 2011
ProkaryotaBacillus Amyloliquefaciensn/aNALee et al. 2012
ProkaryotaBacillus Subtilisn/aNALee et al. 2012
ProkaryotaPaenibacillus Polymyxan/aNALee et al. 2012
ProkaryotaAzospirillum Brasilensepromotion of performance of Chlorella sorokiniana Shihculture collection DSMZ 1843Amavizca et al. 2017
ProkaryotaBacillus Pumiluspromotion of performance of Chlorella sorokiniana ShihNAAmavizca et al. 2017
ProkaryotaEscherichia Colipromotion of performance of Chlorella sorokiniana ShihNAAmavizca et al. 2017
EukaryotaSaccharomyces Cerevisiaegrape vineBecher et al. 2012
ProkaryotaBacillus Subtilistriggers induced systemic resistance (ISR) in ArabidopsisnaRyu et al. 2004
ProkaryotaBacillus Subtilistrigger induced systemic resistance (ISR)NARyu et al. 2004
ProkaryotaBacillus Amyloliquefacienstrigger induced systemic resistance (ISR)NARyu et al. 2004
EukaryotaTuber Sp.NASplivallo et al. 2007
ProkaryotaStreptomyces Sp.n/aNASchulz and Dickschat 2007
ProkaryotaLentilactobacillus BuchneriNANASquara et al. 2022
ProkaryotaLacticaseibacillus ParacaseiNANASquara et al. 2022
EukaryotaZygosaccharomyces RouxiiNANAPei et al. 2022
ProkaryotaBacillus AtrophaeusNANAToral et al. 2021
ProkaryotaBacillus VelezensisNANAToral et al. 2021
Meyerozyma GuilliermondiiXiong et al. 2023
Lentinula EdodesGeng et al. 2024
Bacillus SafensisKoilybayeva et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaCandida AlbicansYPDSPME/GC-MSno
EukaryotaCandida ParapsilosisYPDSPME/GC-MSno
ProkaryotaStaphylococcus Saccharolyticusbrain heart infusion mediumPorapak / GC/MSno
ProkaryotaStaphylococcus Warneribrain heart infusion mediumPorapak / GC/MSno
ProkaryotaErwinia AmylovoraLuria-Bertani (LB)PTR-MS / SPME / GC-MSno
ProkaryotaBacillus Sp.Plate Count agar (PCA)GC–MSyes
ProkaryotaBacillus Sp.Methyl Red & Voges Proskauer broth (MRVP-B)SPME, GC-MSyes
ProkaryotaBacillus Amyloliquefaciensmodified Murashige-Skoog (MS) culture mediumSPME-GC-MSno
ProkaryotaPaenibacillus PolymyxaLandy mediaHS-SPME/GC-MSno
EukaryotaAspergillus FlavusSNA mediaSPME/GC-MSno
ProkaryotaBacillus AmyloliquefaciensTSB media, MR-VP (Methyl Red-Vogos Proskeur) mediaSPME/GC-MSno
ProkaryotaBacillus ToyonensisTSB media, MR-VP (Methyl Red-Vogos Proskeur) mediaSPME/GC-MSno
ProkaryotaBacillus MycoidesTSB media, MR-VP (Methyl Red-Vogos Proskeur) mediaSPME/GC-MSno
ProkaryotaSerratia MyotisTSB mediaSPME/GC-MSno
ProkaryotaPseudomonas PseudoalcaligenesLB mediaSPME/GC-MSno
ProkaryotaPantoea VagansTYB mediaGC-MSno
ProkaryotaBacillus Sp.TYB mediaGC-MSno
ProkaryotaPaenibacillus PolymyxaLB agar and M49 (minimal) mediaSPME/GC-MSyes
ProkaryotaBacillus VelezensisMOLP mediaSPME/GC-MSyes
ProkaryotaBacillus VelezensisTSA mediaSPME/GC-MSno
EukaryotaMrakia Blollopisartificial nectar mediaGC-MSno
EukaryotaTausonia Pullulansartificial nectar mediaGC-MSno
EukaryotaCystofilobasidium Sp.artificial nectar mediaGC-MSno
EukaryotaCystofilobasidium Capitatumartificial nectar mediaGC-MSno
ProkaryotaBacillus Subtilisn/an/ano
ProkaryotaBacillus Amyloliquefaciensn/an/ano
ProkaryotaClostridium Sp.n/an/ano
EukaryotaTuber Borchiin/an/ano
EukaryotaTuber Melanosporumn/an/ano
EukaryotaTuber Mesentericumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)no
EukaryotaTuber Aestivumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)no
ProkaryotaChromobacterium ViolaceumMR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaSerratia ProteamaculansMR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaStenotrophomonas RhizophilaMS Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia ThailandensisAngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBacillus AmyloliquefaciensTryptic soy agarSPME coupled with GC-MSno
ProkaryotaBacillus SubtilisTryptic soy agarSPME coupled with GC-MSno
ProkaryotaPaenibacillus PolymyxaTryptic soy agarSPME coupled with GC-MSno
ProkaryotaAzospirillum BrasilenseTSASPME-GCno
ProkaryotaBacillus PumilusTSASPME-GCno
ProkaryotaEscherichia ColiTSASPME-GCno
EukaryotaSaccharomyces Cerevisiaesynthetic minimal mediumGC-MS, EIyes
ProkaryotaBacillus SubtilisMurashige and Skoog mediumcapillary GC;GC/MSyes
ProkaryotaBacillus SubtilisMurashige & Skoog medium containing 1.5% (w/v) agar, 1.5% (w/v) Suc, and 0.4% (w/v) TSASuper-Q adsorbent trap/GC-FID or GC-MSyes
ProkaryotaBacillus AmyloliquefaciensMurashige & Skoog medium containing 1.5% (w/v) agar, 1.5% (w/v) Suc, and 0.4% (w/v) TSASuper-Q adsorbent trap/GC-FID or GC-MSyes
EukaryotaTuber Sp.no
ProkaryotaStreptomyces Sp.n/an/ano
ProkaryotaLentilactobacillus Buchnerimaize silageHS-SPME coupled with GC-TOF MSno
ProkaryotaLacticaseibacillus Paracaseimaize silageHS-SPME coupled with GC-TOF MSno
EukaryotaZygosaccharomyces RouxiiYPD mediumGC-MSno
ProkaryotaBacillus AtrophaeusMOLPHS-SPME-GC/MSno
ProkaryotaBacillus VelezensisMOLPHS-SPME-GC/MSno
Meyerozyma GuilliermondiiYEPD, 10 g/L yeast extrac, 20 g/L peptone, 20 g dextroseGC-MS and GC-IMSno
Lentinula EdodesJiuqu (traditional wheat Qu)GC-IMSno
Bacillus Safensisbacteriological agar (BA, 15 g/L), gelatin peptone (GP, 5 g/L), and meat extract (ME, 3 g/L)GC–MSno


Benzene-1,4-diol

Compound Details

Synonymous names
hydroquinone
123-31-9
Benzene-1,4-diol
1,4-benzenediol
Quinol
1,4-Dihydroxybenzene
p-Benzenediol
p-Hydroquinone
p-Hydroxyphenol
4-Hydroxyphenol
p-Dihydroxybenzene
Benzoquinol
hydroquinol
Dihydroquinone
Eldoquin
p-Dioxybenzene
Solaquin forte
Eldopaque
Hydroquinole
Idrochinone
Tecquinol
Phiaquin
Benzohydroquinone
Hidroquinone
Arctuvin
Tequinol
Dihydroxybenzene
Eldopaque Forte
Eldoquin Forte
Derma-Blanch
Hydrochinon
Tenox HQ
Diak 5
Benzene, p-dihydroxy-
Hydrochinone
1,4-Dihydroxy-benzol
Artra
Usaf ek-356
1,4-Diidrobenzene
p-Dioxobenzene
1,4-Dihydroxybenzen
para-Dioxybenzene
para-Hydroquinone
NCI-C55834
Black and White Bleaching Cream
1,4-Dihydroxy-benzeen
para-Dihydroxybenzene
beta-quinol
HE 5
Pyrogentistic acid
Epiquin
Melanex
Sunvanish
Idrochinone [Italian]
p-Dihydroquinone
alpha-hydroquinone
CHEBI:17594
NSC 9247
Hydrochinon [Czech, Polish]
CCRIS 714
1,4-Dihydroxybenzen [Czech]
1,4-Diidrobenzene [Italian]
HSDB 577
DTXSID7020716
1,4-Dihydroxy-benzeen [Dutch]
1,4-Dihydroxy-benzol [German]
AI3-00072
CHEMBL537
UNII-XV74C1N1AE
NSC-9247
EINECS 204-617-8
XV74C1N1AE
UN2662
Hydroquinone (USP)
Hydroquinone [USP]
MFCD00002339
HQ
DTXCID70716
NSC9247
EC 204-617-8
Hydroquinone [UN2662] [Poison]
1,4-Dihydroxybenzene (ring-d4)
TRI-LUMA COMPONENT HYDROQUINONE
NCGC00015523-02
HYDROQUINONE COMPONENT OF TRI-LUMA
HYDROQUINONE (IARC)
HYDROQUINONE [IARC]
para-Hydroxyphenol
Quinol; 1,4-Benzenediol; 1,4-Dihydroxybenzene
HYDROQUINONE (MART.)
HYDROQUINONE [MART.]
HYDROQUINONE (USP-RS)
HYDROQUINONE [USP-RS]
quinnone
Eldopacque
p-Phenylenediol
p Benzendiol
HYDROQUINONE (USP MONOGRAPH)
HYDROQUINONE [USP MONOGRAPH]
p-Quinol
1,4-Benzoquinol
CAS-123-31-9
SMR000059154
1,4-Hydroxybenzene
SR-01000075920
BUTYLHYDROXYANISOLE IMPURITY A (EP IMPURITY)
BUTYLHYDROXYANISOLE IMPURITY A [EP IMPURITY]
4-DIHYDROXYBENZENE
hydroquinon
BQ(H)
Hydroquinoue
Balancer
MedisilkeNight
Supermax
hydroq uinone
hydroquinone gr
MiracleFade
Reduced quinone
a-Hydroquinone
Activator Light
Corrector Light
Skin Lightener
Black & White Bleaching Cream
Clear Action
Double White
Exence White
Hydroquinone gel
Idole Carrot
Movate Carrot
Movate Lemon
p-Hydroxybenzene
Scarlight Md
b-Quinol
Caro Light
Hot Movate
Idole Black
4-Benzenediol
4-hydroxyphenoxy
Hydroquinone 4%
Hydroquinone cream
Nova Complex HQ
Hydroquinone, HQ
Light The Way
.beta.-Quinol
1,4 benzenediol
Clarite 4
Hydro-Q
Obagi-C
Seequin 2
Seequin 4
Active 4
Hydroquinone,(S)
p-dihydroxy benzene
PLQ
Artra (Salt/Mix)
HQLA
HYDROP
I-max Lightening 5
PIONA
.alpha.-Hydroquinone
Skin lightening Cream
African Formula Black
NeovaComplex HQ Plus
phenol derivative, 4
Skin Beautifying Milk
African Formula Carrot
Essential Fade Complex
Clear-N-Smooth PLUS
4-hydroxyphenyl alcohol
NU-DERM BLENDER
NU-DERM CLEAR
Skin Lightening Complex
Spectrum_001757
SYMBA Skin Lightening
4e3h
Image Md Lightening Rx
BRIGHTENLIGHTENING
HYDROQUINONE 6%
HYDROQUINONE 8%
SpecPlus_000769
1,4-Dihydrobenzoquinone
Clear-N-Smooth Ultimate
Clear-N-Smooth SuperMax
Clear-N-Smooth UltraMax
ELDOQUIN (TN)
EB5 Age Spot Treatment
Gold Cosmetics Adi Clear
hydroquinone for synthesis
Hydroquinone Time Release
Rejuvaderm Medispa Fading
Spectrum2_001672
Spectrum3_000656
Spectrum4_000633
Spectrum5_001430
HYDROQUINONE [MI]
Lopac-H-9003
HYDROQUINONE 8%.
WLN: QR DQ
bmse000293
Dark Spot Lightening Cream
Epitope ID:116206
Sh18
HYDROQUINONE [HSDB]
HYDROQUINONE [INCI]
Skin LighteningRodan Fields
PLUS Skin lightening Cream
Gold Cosmetics Bleach Cream
Vividly Brilliant Perfecting
HYDROQUINONE [VANDF]
1,4-Dihydroxybenzene Quinol
Lopac0_000577
SCHEMBL15516
BSPBio_002291
KBioGR_001246
KBioSS_002237
1,4-Dihydroxybenzene, XIII
MLS000069815
MLS001074911
Pure Valley Miracle Age Spot
BIDD:ER0340
DivK1c_006865
HYDROQUINONE [WHO-DD]
Hydroquinone, LR, >=99%
SPECTRUM1504237
Clear-N-Smooth Super-Ultimate
Hydrochinon(CZECH, POLISH)
SPBio_001883
Precious Beauty Skin Lightening
Body Fade CremeMaximum Strength
PLEXADERM Dark Spot Fade Gel
ULTIMATE Skin lightening Cream
BDBM26190
Hydroquinone, puriss., 99.0%
KBio1_001809
KBio2_002237
KBio2_004805
KBio2_007373
KBio3_001511
Benzene-1,4-diol (Hydroquinone)
Gold Cosmetics Bleach Cream Forte
HQ Plus Brightening CreamVI Derm
DTXSID001316808
HMS1922H15
HMS2093E08
HMS3261D16
HYDROQUINONE [ORANGE BOOK]
OLIVIA QUIDO BLEMISH ERASER
Pharmakon1600-01504237
Ageless Total Skin Bleaching Serum
DermisaSkin Fade Vitamin C infused
Gold Cosmetics Bleach Cream Silver
Divine Derrier Skin Bleaching cream
Dr. Lightening Ultra-Potent Facial
HY-B0951
Obagi-C Rx system C-Therapy Night
Tox21_110169
Tox21_202345
Tox21_300015
Tox21_500577
141010 HYDROQUINONE 4%
141011 HYDROQUINONE 6%
141030 HYDROQUINONE 8%
141055 HYDROQUINONE 6%
141067 HYDROQUINONE 8%
CCG-39082
MD Acne Medicated Dark Spot Remover
NSC758707
Olivia Quido Skincare Blemish Eraser
s4580
STK397446
AKOS000119003
Obagi C Rx System C Clarifying Serum
Teatrical Pro-Aclarant Skin Lightening
Tox21_110169_1
AM10548
DB09526
LP00577
MCULE-3953269041
NSC-758707
RP10102
SDCCGSBI-0050559.P003
UN 2662
Hydroquinone, ReagentPlus(R), >=99%
Hydroquinone, USP, 99.0-100.5%
NCGC00015523-01
NCGC00015523-03
NCGC00015523-04
NCGC00015523-05
NCGC00015523-06
NCGC00015523-07
NCGC00015523-08
NCGC00015523-09
NCGC00015523-10
NCGC00015523-11
NCGC00015523-12
NCGC00015523-13
NCGC00015523-19
NCGC00090880-01
NCGC00090880-02
NCGC00090880-03
NCGC00090880-04
NCGC00090880-05
NCGC00254037-01
NCGC00259894-01
NCGC00261262-01
BP-21160
DA-33570
Dr. Throwers Skin Lightening Moisturizing
Hydroquinone, ReagentPlus(R), >=99.5%
SBI-0050559.P002
Hydroquinone, SAJ first grade, >=99.0%
NU-DERM CLEARSkin Bleaching and Corrector
EU-0100577
H0186
Hydroquinone, SAJ special grade, >=99.0%
MEDITOWELILLUMINATING SKIN BRIGHTENING
NS00004421
NU-DERM BLENDERSkin Lightener and Blending
EN300-18053
Hydroquinone, meets USP testing specifications
Advanced Dual Complex FadeMaximum Strength Plus
C00530
D00073
H 9003
AB00053361_08
Q419164
ZO Skin Health Pigment Control Creme Hydroquinone
J-004910
J-521469
SR-01000075920-1
SR-01000075920-4
Q27102742
Z57127551
094CADDB-59BF-4EDF-B278-59791B203EA2
F1908-0167
Hydroquinone, certified reference material, TraceCERT(R)
OBAGI-C Rx system C-CLARIFYING SERUM NORMAL TO oily
ZO Skin Health Pigment Control Program Plus Hydroquinone
CONDITION AND ENHANCE BLENDERSkin Lightener and Blending
CONDITION AND ENHANCE CLEARSkin Bleaching and Corrector
ZO Skin Health Pigment Control Plus Blending Creme Hydroquinone
ELASTIDERM DECOLLETAGE SKIN LIGHTENING COMPLEXChest and Neck
Hydroquinone, United States Pharmacopeia (USP) Reference Standard
InChI=1/C6H6O2/c7-5-1-2-6(8)4-3-5/h1-4,7-8
Obagi-C Rx system C-Therapy NightSkin Lightening with Vitamins C and E
Hydroquinone, Pharmaceutical Secondary Standard; Certified Reference Material
ZO MEDICAL MELAMIN-C Skin Bleaching and Correcting with Vitamin C Hydroquinone
ZO Skin Health Pigment Control plus Brightening Creme Hydroquinone plus Vitamin C
3225-30-7
OBAGI-C Rx system C-CLARIFYING SERUM NORMAL TO oilySKIN LIGHTENING SERUM WITH VITAMIN C
Microorganism:

Yes

IUPAC namebenzene-1,4-diol
SMILESC1=CC(=CC=C1O)O
InchiInChI=1S/C6H6O2/c7-5-1-2-6(8)4-3-5/h1-4,7-8H
FormulaC6H6O2
PubChem ID785
Molweight110.11
LogP0.6
Atoms8
Bonds0
H-bond Acceptor2
H-bond Donor2
Chemical Classificationaromatic compounds phenols diols benzenoids
CHEBI-ID17594
Supernatural-IDSN0306140

mVOC Specific Details

Boiling Point
DegreeReference
285 °C peer reviewed
Volatilization
The Henry's Law constant for hydroquinone is estimated as 4.7X10-11 atm-cu m/mole(SRC) derived from its vapor pressure, 2.4X10-5 mm Hg(1), and water solubility, 7.2X10+4 mg/L(2). This Henry's Law constant indicates that hydroquinone is expected to be essentially nonvolatile from water and moist soil surfaces(3). Hydroquinone 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 hydroquinone is estimated as 240(SRC). According to a classification scheme(2), this estimated Koc value suggests that hydroquinone is expected to have moderate mobility in soil. Hydroquinone can exhibit chemisorption to transition metal-containing particulate matter via reaction with the copper oxide/silca surfaces present(3).
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaSaccharomyces CerevisiaeNANAHarris et al. 2021
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaSaccharomyces Cerevisiaemalt extract brothHS-SPME with GC-MSno


Propane-1,2-diol

Mass-Spectra

Compound Details

Synonymous names
propylene glycol
1,2-propanediol
propane-1,2-diol
57-55-6
1,2-Propylene glycol
1,2-dihydroxypropane
2-Hydroxypropanol
Isopropylene glycol
Methylethyl glycol
Methylethylene glycol
Monopropylene glycol
Dowfrost
Sirlene
Trimethyl glycol
2,3-Propanediol
Propylene Glycol USP
Solargard P
alpha-Propyleneglycol
Solar Winter BAN
dl-Propylene glycol
DL-1,2-Propanediol
Methyl glycol
Ucar 35
1,2-Propylenglykol
(RS)-1,2-Propanediol
Sentry Propylene Glycol
PG 12
FEMA No. 2940
(+-)-1,2-Propanediol
Kilfrost ABC-S
(+-)-Propylene glycol
Caswell No. 713
General lube
Kollisolv pg
CCRIS 5929
HSDB 174
1,2 Propanediol
All purpose lubricant
AI3-01898
alpha-Propylene glycol
1,2-Propylenglykol [German]
NSC 69860
HOCH2CH(OH)Me
MeCH(OH)CH2OH
EPA Pesticide Chemical Code 068603
CHEBI:16997
Propyleneglycolum
.alpha.-Propylene glycol
CH3CH(OH)CH2OH
HOCH2CH(OH)CH3
1,2-(RS)-Propanediol
propylene glycerol
Propylene glycol (solvent)
1,2-propandiol
EINECS 200-338-0
(+/-)-1,2-propanediol
1000PG
NSC-69860
SDM No. 27
1,2-propane-diol
Ins-1520
UNII-6DC9Q167V3
BRN 1340498
L-1,2-propanediol
DTXSID0021206
PROPANEDIOL-
6DC9Q167V3
Propylene glycol dl-form
S-(+)-Propylene glycol
MFCD00064272
Ins no.1520
123120-98-9
propylenglycol
Propylene glycol [USP:JAN]
DTXCID901206
1,2-Propanediol (8CI,9CI)
1,2-PDO
E-1520
EC 200-338-0
(2RS)-PROPANE-1,2-DIOL
NSC69860
Poly(propylene glycol) average Mn 400
NCGC00090739-02
Poly(propylene glycol) average Mn 2000
Poly(propylene glycol) average Mn 4000
( inverted exclamation markA)-1,2-Propanediol
Prolugen
Propylene glycol (USP:JAN)
PROPYLENE GLYCOL (II)
PROPYLENE GLYCOL [II]
propylene-glycol
C3H8O2
Propan-1,2-Diol
Ilexan P
PROPYLENE GLYCOL (MART.)
PROPYLENE GLYCOL [MART.]
PROPYLENE GLYCOL (USP-RS)
PROPYLENE GLYCOL [USP-RS]
1,2-(RS)-Propanediol; 1,2-Dihydroxypropane; 1,2-Propylene glycol
PROPYLENE GLYCOL (EP MONOGRAPH)
PROPYLENE GLYCOL [EP MONOGRAPH]
Glycol, Propylene
CAS-57-55-6
PROPYLENE GLYCOL (USP MONOGRAPH)
PROPYLENE GLYCOL [USP MONOGRAPH]
63625-56-9
GLYCEROL IMPURITY C (EP IMPURITY)
GLYCEROL IMPURITY C [EP IMPURITY]
1,2-propane diol
()-1,2-propanediol
(S)-(+)-Propylene glycerol
Propilenoglicol
Propylenglykol
Propylenglycolum
Systane Balance
Metiletilenglicol
Propyleeniglykoli
Vet Lube
Glicol propilenico
Glikol propylenowy
1-2-propanediol
1.2-propanediol
OB Lube
2-Dihydroxypropanol
Propylene glycol; (RS)-propane-1,2-diol; Glycerol Imp. C (EP); GR 43314X; Glycerol Impurity C
Systane COMPLETE
1,2 -propanediol
Lubiseptol Lubricant
1,2-Hydroxypropane
1,2-propyleneglycol
Propylene Glycol (Propane-1,2-diol)
Propane-1,2-glycol
LS-1391
DEROFEN MIEL
Sirlene /Former use/
KETO-TREAT
Propylene glycol, USP
Sterile Lubricant drops
Systane COMPLETE PF
Propylene glycol (TN)
racemic propylene glycol
racemic 1,2-propanediol
DSSTox_CID_1206
Walgreen Sterile Lubricant
Propylene Glycol U.S.P.
bmse000302
Epitope ID:161748
GENERAL OB LUBRICANT
propylene glycol cefatrizine
CVS Health Lubricant Drops
1,2-Propanediol 100 microg/mL in Acetonitrile
DSSTox_RID_78594
Propylene glycol, FCC, FG
DSSTox_GSID_27863
3-01-00-02142 (Beilstein Handbook Reference)
MLS001055394
PROPYLENE GLYCOL [MI]
WLN: QY1&1Q
Eyelash and Eyebrow Lengthener
PROPYLENE GLYCOL [FCC]
PROPYLENE GLYCOL [JAN]
CHEMBL286398
GR12
Propylene glycol (JP17/USP)
1,2-Propanediol, ACS reagent
CVS Lubricant Eye Drops 15mL
PROPYLENE GLYCOL [FHFI]
PROPYLENE GLYCOL [HSDB]
PROPYLENE GLYCOL [INCI]
PROPYLENE GLYCOL [VANDF]
(.+/-.)-1,2-Propanediol
PROPYLENE GLYCOL [WHO-DD]
PROPYLENE GLYCOL [WHO-IP]
HMS3039O11
1,2-Propanediol, LR, >=99%
BCP23677
CRB71005
HY-Y0921
NSC35747
NSC35748
NSC35749
Tox21_111003
Tox21_201812
Tox21_300006
Tox21_301441
1,2-Propanediol, USP, 99.5%
BBL011472
NSC-35747
NSC-35748
NSC-35749
STL146584
1,2-Propanediol, analytical standard
Equate Support Moisture Lubricant Eye
1,2-Propanediol, puriss., 99.5%
AKOS000121049
AKOS016355793
PROPYLENE GLYCOL DL-FORM [MI]
Walgreens Complete Lubricant Eye Drops
DB01839
MCULE-5574440784
SB44656
SB44657
PROPYLENEGLYCOLUM [WHO-IP LATIN]
Restorative Formula Lubricant Eye Drops
USEPA/OPP Pesticide Code: 068603
NCGC00090739-01
NCGC00090739-03
NCGC00090739-04
NCGC00254159-01
NCGC00255183-01
NCGC00259361-01
1,2-Propanediol, ReagentPlus(R), 99%
BP-21014
E490
HEB Lubricant Eye Drops Dry Eye Therapy
Non Spermicidal Sterile Lubricating Jelly
SMR000677948
SY003769
SY003770
CAS-25322-69-4
DB-013280
Lubricant Eye Drops Restorative Performance
PROPYLENE GLYCOL (SOLVENT) [VANDF]
1,2-Propanediol, ACS reagent, >=99.5%
1,2-Propanediol, ReagentPlus(R), >=99%
CS-0015917
E1520
NS00009085
P0485
S6258
EN300-21726
1,2-Propanediol, analytical reference material
1,2-Propanediol, tested according to Ph.Eur.
C00583
D00078
1,2-Propanediol, p.a., ACS reagent, 99.5%
1,2-Propanediol, SAJ first grade, >=99.0%
1,2-Propanediol, SAJ special grade, >=99.0%
1,2-Propanediol, Vetec(TM) reagent grade, 98%
Equate Lubricant Eye Drops Restorative Performance
Propylene Glycol, meets USP testing specifications
Q161495
J-502273
Walgreens Lubricant Eye Drops Restorative Performance
F1908-0071
Z106938868
1,2-Propanediol, puriss. p.a., ACS reagent, >=99.5% (GC)
Propylene glycol, British Pharmacopoeia (BP) Reference Standard
Propylene glycol, European Pharmacopoeia (EP) Reference Standard
Propylene glycol, United States Pharmacopeia (USP) Reference Standard
(R)-(-)-1,2-Propyleneglycol; (R)-(-)-Propylene glycerol; (R)-(-)-Propylene glycol
1,2-Propanediol, meets analytical specification of Ph. Eur., BP, USP, >=99.5%
Propylene glycol, Pharmaceutical Secondary Standard; Certified Reference Material
Microorganism:

Yes

IUPAC namepropane-1,2-diol
SMILESCC(CO)O
InchiInChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3
FormulaC3H8O2
PubChem ID1030
Molweight76.09
LogP-0.9
Atoms5
Bonds1
H-bond Acceptor2
H-bond Donor2
Chemical Classificationalcohols glycols diols
CHEBI-ID16997
Supernatural-IDSN0070308

mVOC Specific Details

Boiling Point
DegreeReference
187.6 °C peer reviewed
Volatilization
The Henry's Law constant for propylene glycol is estimated as 1.3X10-8 atm-cu m/mole(SRC) derived from its vapor pressure, 0.13 mm Hg(1), and assigned value for water solubility of 1X10+6 mg/L (miscible)(2). This Henry's Law constant indicates that propylene glycol is expected to be essentially nonvolatile from water surfaces(3). Propylene glycol is not expected to volatilize from dry soil surfaces(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 (1989) (2) Yalkowsky SH, He Y; Handbook of Aqueous Solubility Data: An Extensive Compilation of Aqueous Solubility Data for Organic Compounds Extracted from the AQUASOL dATAbASE. Boca Raton, FL: CRC Press LLC, (2003) (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 propylene glycol is estimated as 1(SRC), using a log Kow of -0.92(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that propylene glycol is expected to have very high mobility in soil(SRC).
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. 7 (1995) (2) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.0. Jan, 2009. Available from http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm as of Feb 12, 2010. (3) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
0.13 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.
MS-Links
1D-NMR-Links
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaStaphylococcus EpidermidisNALemfack et al. 2016
ProkaryotaStaphylococcus Epidermidisclinical isolate,catheterLemfack et al. 2016
ProkaryotaStaphylococcus Saccharolyticusclinical isolateLemfack et al. 2016
EukaryotaTuber Mesentericumn/aFortywoodland of the Basilicata regionMauriello et al. 2004
EukaryotaHanseniaspora UvarumNANAGe et al. 2021
EukaryotaSaccharomycopsis CrataegensisNANAGe et al. 2021
EukaryotaMetschnikowia PulcherrimaNANAGe et al. 2021
EukaryotaPichia KluyveriNANAGe et al. 2021
EukaryotaRhodosporidiobolus LusitaniaeNANAGe et al. 2021
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaStaphylococcus Epidermidisbrain heart infusion mediumPorapak / GC/MSno
ProkaryotaStaphylococcus Saccharolyticusbrain heart infusion mediumPorapak / GC/MSno
EukaryotaTuber Mesentericumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)no
EukaryotaHanseniaspora Uvarumgrape juiceLC-15C HPLCno
EukaryotaSaccharomycopsis Crataegensisgrape juiceLC-15C HPLCno
EukaryotaMetschnikowia Pulcherrimagrape juiceLC-15C HPLCno
EukaryotaPichia Kluyverigrape juiceLC-15C HPLCno
EukaryotaRhodosporidiobolus Lusitaniaegrape juiceLC-15C HPLCno


2,5-ditert-butylbenzene-1,4-diol

Compound Details

Synonymous names
2,5-Di-tert-butylhydroquinone
88-58-4
2,5-Di-tert-butylbenzene-1,4-diol
DTBHQ
Dibug
Di-t-butylhydroquinone
Dybug
Santovar O
2,5-Di-tert-butylquinol
2,5-Di-t-butylhydroquinone
bhq
Naugard 451
Nonflex Alba
Antage DBH
1,4-Benzenediol, 2,5-bis(1,1-dimethylethyl)-
di-tert-butylhydroquinone
Nocrac NS 7
2,5-Di-tert-butyl-1,4-hydroquinone
1,4-Dihydroxy-2,5-di-tert-butylbenzene
2,5-Di-tert-butyl-1,4-benzenediol
2,5-DITERT-BUTYLBENZENE-1,4-DIOL
2,5-Di-tert-butyl-1,4-benzohydroquinone
NSC 11
NSC-11
HYDROQUINONE, 2,5-DI-tert-BUTYL-
2,5-Bis(1,1-dimethylethyl)-1,4-benzenediol
MFCD00008825
2,5-di-tert-butyl hydroquinone
DTXSID8041248
CHEBI:41094
26XK13B61B
2,5-Di-tert-butylhydroquinone (DBHQ)
Hydroquinone,5-di-tert-butyl-
1, 2,5-bis(1,1-dimethylethyl)-
CCRIS 5218
WLN: L6V DVJ BX1&1&1 EX1&1&1
Hydrpquinone, 2,5-di-tert-butyl-
EINECS 201-841-8
BRN 2049542
UNII-26XK13B61B
AI3-16630
2agv
Eastman DTBHQ
Tocris-1236
Cambridge id 5105618
NSC11
Oprea1_534698
SCHEMBL38604
2,5-di-tertbutylhydroquinone
BSPBio_001029
CBDivE_001992
KBioGR_000369
KBioSS_000369
2,5-di-t-butyl hydroquinone
MLS001066345
2,5-DI-(TERT-BUTYL)-1,4,BENZOHYDROQUINONE
2,5-ditert-butyl hydroquinone
2,5-TBHQ
CHEMBL480626
2,5-di-tert-butyl-hydroquinone
DTXCID6021248
KBio2_000369
KBio2_002937
KBio2_005505
KBio3_000717
KBio3_000718
2,5-di-tert--butyl-hydroquinone
NSC9886
2,5-Di-(tert-butyl)hydroquinone
BDBM176764
Bio1_000419
Bio1_000908
Bio1_001397
Bio2_000345
Bio2_000825
HMS1362C11
HMS1792C11
HMS1990C11
HMS3267F19
HMS3403C11
HMS3412A14
HMS3676A14
AMY21868
NSC-9886
Tox21_300385
CA-420
HSCI1_000289
s3628
DI-T-BUTYLHYDROQUINONE [INCI]
2,5-di-tert--butylbenzene-1,4-diol
2,5-Di-tert-butylhydroquinone, 99%
AKOS003627062
2,5-Ditert-butyl-1,4-benzenediol #
AC-2488
CCG-266736
CS-W013115
DB04638
HY-W012399
MCULE-4467634712
PS-7822
CAS-88-58-4
IDI1_002100
BUTYLHYDROQUINONE, 2,5-DI-TERT-
NCGC00025066-01
NCGC00025066-02
NCGC00025066-03
NCGC00025066-04
NCGC00254338-01
CAS# 88-58-4
SMR000135117
DB-057086
D0940
NS00013645
EN300-213340
US9688816, 7
A842719
SR-01000597417
Q-200201
SR-01000597417-1
BRD-K95603879-001-03-4
BRD-K95603879-001-06-7
Q27095374
Z1741982433
Dibutylhydroquinone; BHQ; 2,5-Ditertiary butyl hydroquinone
InChI=1/C14H22O2/c1-13(2,3)9-7-12(16)10(8-11(9)15)14(4,5)6/h7-8,15-16H,1-6H
Microorganism:

Yes

IUPAC name2,5-ditert-butylbenzene-1,4-diol
SMILESCC(C)(C)C1=CC(=C(C=C1O)C(C)(C)C)O
InchiInChI=1S/C14H22O2/c1-13(2,3)9-7-12(16)10(8-11(9)15)14(4,5)6/h7-8,15-16H,1-6H3
FormulaC14H22O2
PubChem ID2374
Molweight222.32
LogP4.6
Atoms16
Bonds2
H-bond Acceptor2
H-bond Donor2
Chemical Classificationaromatic compounds phenols diols benzenoids
CHEBI-ID41094
Supernatural-IDSN0179605

mVOC Specific Details

Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaZygosaccharomyces RouxiiNANAPei et al. 2022
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaZygosaccharomyces RouxiiYPD mediumGC-MSno


Benzene-1,3-diol

Compound Details

Synonymous names
resorcinol
108-46-3
benzene-1,3-diol
1,3-Benzenediol
Resorcin
1,3-Dihydroxybenzene
m-Hydroquinone
m-Hydroxyphenol
m-Dihydroxybenzene
3-Hydroxyphenol
m-Benzenediol
Resorcine
m-Dioxybenzene
Dihydroxybenzol
Resorzin
Developer O
Developer R
Developer RS
Fouramine RS
Fourrine EW
Pelagol RS
Pelagol Grey RS
Resorcinolum
Fourrine 79
Nako TGG
Durafur developer G
C.I. Oxidation Base 31
Phenol, m-hydroxy-
C.I. Developer 4
Benzene, m-dihydroxy-
Rcra waste number U201
Benzene, 1,3-dihydroxy-
3-Hydroxycyclohexadien-1-one
FEMA No. 3589
Acnomel
Resorcinum
Rezamid
Sulforcin
Resorcinol (USP)
NCI-C05970
NSC 1571
C.I. 76505
CCRIS 4052
HSDB 722
UNII-YUL4LO94HK
YUL4LO94HK
RCRA waste no. U201
NSC-1571
EINECS 203-585-2
.alpha.-Resorcinol
Resorcin (JAN)
Resorcin (TN)
Resorcinol [USP]
EPA Pesticide Chemical Code 071401
BRN 0906905
1,3-Dihydroxybenzol
DTXSID2021238
CHEBI:27810
AI3-03996
CHEMBL24147
DTXCID601238
C.I.-76505
EC 203-585-2
4-06-00-05658 (Beilstein Handbook Reference)
Resorcinol [UN2876] [Poison]
MFCD00002269
NCGC00091501-01
RESORCIN [JAN]
BENZENE,1,3-DIHYDROXY RESORCINOL
RESORCINOL (IARC)
RESORCINOL [IARC]
RESORCINOL (MART.)
RESORCINOL [MART.]
RESORCINOL (USP-RS)
RESORCINOL [USP-RS]
RCO
Caswell No. 723
RESORCINOL (EP MONOGRAPH)
RESORCINOL [EP MONOGRAPH]
RESORCINOL (USP MONOGRAPH)
RESORCINOL [USP MONOGRAPH]
Rezorsine
m-phenylenediol
Reso
Rodol RS
CAS-108-46-3
FLUORESCEIN IMPURITY A (EP IMPURITY)
FLUORESCEIN IMPURITY A [EP IMPURITY]
HEXYLRESORCINOL IMPURITY B (EP IMPURITY)
HEXYLRESORCINOL IMPURITY B [EP IMPURITY]
UN2876
Remazol
RS 11H
RS 11L
m-hydroxy-phenol
3-hydroxy-phenol
Resorcinol, ACS
3aqt
3-Hydroxy phenol
Resorcinol, 8CI
benzen-1,3-diol
Resorcinol, Reagent
1,3-benzene diol
Resorcine, technical
1,3-dihyroxybenzene
Acnomel (Salt/Mix)
Eskamel (Salt/Mix)
Rezamid (Salt/Mix)
phenol derivative, 3
26982-54-7
Benzene,3-dihydroxy-
NAKO-TGG
Sulforcin (Salt/Mix)
1,3-dihydroxy-benzene
Spectrum_000173
M-Dihydroxybenzene,(S)
RESORCINOL [MI]
Spectrum2_001310
Spectrum3_000895
Spectrum4_000990
Spectrum5_001152
RESORCINOL [FHFI]
RESORCINOL [HSDB]
RESORCINOL [INCI]
RESORCINUM [HPUS]
WLN: QR CQ
DURAFOR DEVELOPER G
RESORCINOL [VANDF]
bmse000415
1,3-Dihydroxybenzene, XII
NCIOpen2_003867
RESORCINOL [WHO-DD]
SCHEMBL15515
KBioGR_001399
KBioSS_000653
Resorcinol, >=98%, FG
Resorcinol, Flake, Technical
Resorcinol, LR, >=99%
BIDD:ER0285
DivK1c_000041
SPECTRUM1500527
SPBio_001379
Resorcinol, BioXtra, >=99%
BDBM26189
FEMA 3589
HMS500C03
KBio1_000041
KBio2_000653
KBio2_003221
KBio2_005789
KBio3_001810
Resorcinol, reagent grade, 98%
NSC1571
4e49
NINDS_000041
HMS1920P06
HMS2092G07
Pharmakon1600-01500527
1,3-Dihydroxybenzene (Resorcinol)
Resorcinol (1,3-Dihydroxybenzene)
HY-B0907
Resorcinol, ReagentPlus(R), 99%
Tox21_111140
Tox21_202417
Tox21_300140
CCG-39248
NSC757310
Resorcinol 10 microg/mL in Methanol
Resorcinol, Crystalline Powder, USP
STL185604
AKOS000119813
Resorcinol, ACS reagent, >=99.0%
Tox21_111140_1
DB11085
MCULE-7018276061
NSC-757310
UN 2876
IDI1_000041
NCGC00091501-02
NCGC00091501-03
NCGC00091501-04
NCGC00091501-05
NCGC00091501-06
NCGC00253918-01
NCGC00259966-01
Resorcinol, p.a., 99.0-100.5%
Resorcinol, tested according to Ph.Eur.
AC-14363
BP-21158
LS-13122
Resorcinol, SAJ first grade, >=98.0%
SBI-0051505.P003
Resorcinol, JIS special grade, >=99.0%
NS00007013
R0008
S4579
3-Hydroxycyclohexadien-1-one;3-Hydroxyphenol
EN300-19643
1,3-BENZENEDIOL; 1,3-DIHYDROXYBENZENE
C01751
D00133
AB00052085_03
A801880
Q408865
SR-05000002092
FLUORESCEIN SODIUM IMPURITY A [EP IMPURITY]
Q-201666
SR-05000002092-1
BRD-K74190368-001-02-7
F1908-0097
Resorcinol, certified reference material, TraceCERT(R)
Z104474576
Resorcinol, European Pharmacopoeia (EP) Reference Standard
Resorcinol, United States Pharmacopeia (USP) Reference Standard
InChI=1/C6H6O2/c7-5-2-1-3-6(8)4-5/h1-4,7-8
Hymecromone impurity A, European Pharmacopoeia (EP) Reference Standard
Resorcinol, Pharmaceutical Secondary Standard; Certified Reference Material
Microorganism:

Yes

IUPAC namebenzene-1,3-diol
SMILESC1=CC(=CC(=C1)O)O
InchiInChI=1S/C6H6O2/c7-5-2-1-3-6(8)4-5/h1-4,7-8H
FormulaC6H6O2
PubChem ID5054
Molweight110.11
LogP0.8
Atoms8
Bonds0
H-bond Acceptor2
H-bond Donor2
Chemical Classificationaromatic compounds phenols diols benzenoids
CHEBI-ID27810
Supernatural-IDSN0105880

mVOC Specific Details

Boiling Point
DegreeReference
280 °C peer reviewed
Volatilization
The Henry's Law constant for resorcinol is estimated as 9.9X10-11 atm-cu m/mole(SRC) derived from its vapor pressure, 4.89X10-4 mm Hg(1), and water solubility, 7.17X10+5 mg/L(2). This Henry's Law constant indicates that resorcinol is expected to be essentially nonvolatile from water and moist soil surfaces(3). Resorcinol is not expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(1).
Soil Adsorption
The Koc of resorcinol in a clay loam soil from the Michigan State University Soils Research Farm was measured to be 10.36(1). According to a classification scheme(2), this estimated Koc value suggests that resorcinol is expected to have very high mobility in soil. The pKa1 of resorcinol is 9.30(3), indicating that this compound will exist partially in the anion form in the environment and anions generally do not adsorb more strongly to soils containing organic carbon and clay than their neutral counterparts(4).
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaStreptomyces ThermocarboxydusNANAPassari et al. 2019
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaStreptomyces Thermocarboxydusactinomycetes isolation agar (AIA)GC-MSno


2-ethylhexane-1,3-diol

Mass-Spectra

Compound Details

Synonymous names
2-ETHYL-1,3-HEXANEDIOL
94-96-2
Ethohexadiol
2-Ethylhexane-1,3-diol
Ethyl hexanediol
1,3-Hexanediol, 2-ethyl-
Octylene glycol
Repellent 612
etohexadiol
Carbide 6-12
Ethylhexylene glycol
Rutgers 612
6-12 insect repellent
6-12-Insect repellent
Diol-Kyowa 8
2-Ethyl-1,3-hexandiol
2-Ethyl-3-propyl-1,3-propanediol
2-Ethyl-1,3-hexylene glycol
3-Hydroxymethyl-n-heptan-4-ol
ENT 375
NSC 3881
Ethyl hexylene glycol
2-Ethylhexanediol-1,3
NSC-3881
M9JGK7U88V
DTXSID4025292
CHEBI:34273
Compound 6-12, insect repellent
MFCD00004578
NCGC00091575-01
Diol-Kyowa 8; Ethohexadiol; NSC 3881
DTXCID405292
Ethohexadiol [USP]
Caswell No. 445
Latka 612 [Czech]
CAS-94-96-2
CCRIS 4034
Compound 6-12 insect repellent
HSDB 1716
Latka 612
EINECS 202-377-9
UNII-M9JGK7U88V
EPA Pesticide Chemical Code 041001
BRN 1735324
AI3-00375
EH diol
ETHOHEXADIOL [MI]
EC 202-377-9
ETHOHEXADIOL [HSDB]
2-ethyl-1,3-hexane diol
2-ethyl-hexane-1,3-diol
Ethyl-1,3-hexane diol-2
SCHEMBL38007
ETHOHEXADIOL [MART.]
4-01-00-02597 (Beilstein Handbook Reference)
ETHOHEXADIOL [WHO-DD]
WLN: QY3&Y2&1Q
ETHYL HEXANEDIOL [INCI]
CHEMBL1451179
NSC3881
Tox21_111152
Tox21_202003
Tox21_303253
AKOS002313502
AKOS016051411
Tox21_111152_1
DB13826
MCULE-4462593004
NCGC00091575-02
NCGC00091575-03
NCGC00256943-01
NCGC00259552-01
AS-80897
2-Ethyl-1,3-hexanediol, analytical standard
E0119
NS00005681
Q992192
SR-01000944444
SR-01000944444-1
(2RS,3RS;2RS,3SR)-2-ETHYLHEXANE-1,3-DIOL
BRD-A55455283-001-01-3
InChI=1/C8H18O2/c1-3-5-8(10)7(4-2)6-9/h7-10H,3-6H2,1-2H
Microorganism:

Yes

IUPAC name2-ethylhexane-1,3-diol
SMILESCCCC(C(CC)CO)O
InchiInChI=1S/C8H18O2/c1-3-5-8(10)7(4-2)6-9/h7-10H,3-6H2,1-2H3
FormulaC8H18O2
PubChem ID7211
Molweight146.23
LogP1.3
Atoms10
Bonds5
H-bond Acceptor2
H-bond Donor2
Chemical Classificationalcohols diols
CHEBI-ID34273
Supernatural-IDSN0337061

mVOC Specific Details

Boiling Point
DegreeReference
244.2 DEG C @ 760 MM HGBudavari, S. (ed.). The Merck Index - Encyclopedia of Chemicals, Drugs and Biologicals. Rahway, NJ: Merck and Co., Inc., 1989., p. 591
Solubility
SOL IN WATER 0.6% WT/WT; SOLUBILITY OF WATER IN ETHOHEXADIOL 10.8% WT/WT; SOL IN ETHANOL, ISOPROPANOL, PROPYLENE GLYCOL, CASTOR OIL
Literature: Budavari, S. (ed.). The Merck Index - Encyclopedia of Chemicals, Drugs and Biologicals. Rahway, NJ: Merck and Co., Inc., 1989., p. 591
Literature: #MISCIBLE WITH CHLOROFORM, DIETHYL ETHER
Literature: Worthing, C. R. (ed.). Pesticide Manual. 6th ed. Worcestershire, England: British Crop Protection Council, l979., p. 247
Vapor Pressure
PressureReference
LESS THAN 0.01 MM HG @ 20 DEG CBudavari, S. (ed.). The Merck Index - Encyclopedia of Chemicals, Drugs and Biologicals. Rahway, NJ: Merck and Co., Inc., 1989., p. 591

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaPseudomonas Fragin/aNAErcolini et al. 2009
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaPseudomonas Fragin/an/ano


Butane-1,3-diol

Mass-Spectra

Compound Details

Synonymous names
1,3-BUTANEDIOL
Butane-1,3-diol
107-88-0
1,3-Butylene glycol
Butylene glycol
1,3-Dihydroxybutane
Methyltrimethylene glycol
1,3 Butylene glycol
1,3-Butandiol
(+/-)-1,3-Butanediol
beta-Butylene glycol
(RS)-1,3-Butandiol
1-Methyl-1,3-propanediol
1,3-Butylenglykol
Caswell No. 128GG
1,3-Butanodiol
HSDB 153
.beta.-Butylene glycol
NSC 402145
NSC-402145
(R)-1,3-butanediol
UNII-3XUS85K0RA
BD
EINECS 203-529-7
3XUS85K0RA
BRN 1731276
DTXSID8026773
CHEBI:52683
AI3-11077
BUTANEDIOL,1,3-
DTXCID306773
NSC6966
EC 203-529-7
0-01-00-00477 (Beilstein Handbook Reference)
NSC402145
BUTYLENE GLYCOL (II)
BUTYLENE GLYCOL [II]
BUTANE-1,3-DIOL (USP-RS)
BUTANE-1,3-DIOL [USP-RS]
1,3-Butandiol [German]
1,3-butane diol
CAS-107-88-0
1,3-Butylenglykol [German]
1,3-Butanediol, (R)-
1,3-Butanediol, (S)-
(S)-(+)-1,3-Butylene Glycol
MFCD00064278
( inverted exclamation markA)-1,3-Butanediol
b-Butylene glycol
Herbal Moxibustion
1.3-butanediol
1,3 -butanediol
Butylene Glycol (Butane-1,3-diol)
MFCD00004554
DL-1,3-butanediol
Chinese medicine patch
R-butane-1,3-diol
Butylene glycol (NF)
(S)-(+)-butanediol
racemic 1,3-butanediol
BUTANEDIOL,3-
1,3-butanediol, DL-
(RS)-1,3-Butanediol
Natural Oriental Herb Care
1,3-Butanediol 100 microg/mL in Acetonitrile
(+/-) 1,3 butandiol
(+/-)-1,3-butandiol
BUTYLENE GLYCOL [INCI]
(.+/-.)-1,3-Butanediol
CHEMBL3186475
WLN: QY1 & 2Q
(S)-(+)-1,3-butane diol
1,3-BUTANEDIOL [HSDB]
acmeros Lubricant X0026F3541
1,3-BUTANDIOL [WHO-DD]
ShiZhenTaiYiTang Moxibustion Patch
LingLongJiuHuo Linglong Moxibustion
QIZHOUGUAI Chinese medicine patch
1,3-Butanediol, (.+/-.)-
1,3-BUTYLENE GLYCOL [MI]
NSC-6966
1,3-BUTYLENE GLYCOL [FCC]
Tox21_202408
Tox21_300085
1,3 BUTYLENE GLYCOL [FHFI]
BBL037424
HY-77490A
STL483070
AKOS000119043
DB14110
MCULE-1694239851
SB44648
SB44659
SB83779
1,3 BUTYLENE GLYCOL, (+/-)
NCGC00247900-01
NCGC00247900-02
NCGC00253944-01
NCGC00259957-01
SY049450
SY051259
1,3 BUTYLENE GLYCOL, (+/-)-
3CE SUPER SLIM PEN EYE LINER BLACK
3CE SUPER SLIM PEN EYE LINER BROWN
DB-000434
DB-011642
(+/-)-1,3-Butanediol, analytical standard
B0679
B3770
CS-0115644
NS00008159
EN300-19320
(+/-)-1,3-Butanediol, anhydrous, >=99%
C20335
D10695
F82621
3CE SUPER SLIM PEN EYE LINER LIGHT BROWN
Q161496
(+/-)-1,3-Butanediol, ReagentPlus(R), 99.5%
3CE SUPER SLIM PEN EYE LINER BURGUNDY BROWN
J-002028
(+/-)-1,3-Butanediol, ReagentPlus(R), >=99.0%
(+/-)-1,3-Butanediol, SAJ first grade, >=98.0%
(+/-)-1,3-Butanediol, Vetec(TM) reagent grade, 98%
F8880-3340
LingLongJiuHuo Linglong Moxibustion Wormwood Moxibustion Patch
Butane-1,3-diol, United States Pharmacopeia (USP) Reference Standard
55251-78-0
Microorganism:

No

IUPAC namebutane-1,3-diol
SMILESCC(CCO)O
InchiInChI=1S/C4H10O2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3
FormulaC4H10O2
PubChem ID7896
Molweight90.12
LogP-0.4
Atoms6
Bonds2
H-bond Acceptor2
H-bond Donor2
Chemical Classificationalcohols diols glycols
CHEBI-ID52683
Supernatural-IDSN0295624

mVOC Specific Details

Boiling Point
DegreeReference
207.5 °C peer reviewed
Volatilization
The Henry's Law constant for 1,3-butanediol is estimated as 2.4X10-9 atm-cu m/mole(SRC) derived from its vapor pressure, 0.02 mm Hg(1), and assigned value for water solubility, 1X10+6 mg/L (miscible)(2). This Henry's Law constant indicates that 1,3-butanediol is expected to be essentially nonvolatile from water and moist soil surfaces(3). 1,3-Butanediol is not expected to volatilize from dry soil surfaces(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 (1989) (2) Riddick JA et al; Techniques of Chemistry 4th ed, Volume II Organic Solvents. New York, NY: John Wiley and Sons (1985) (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
Using a structure estimation method based on molecular connectivity indices(1), the Koc of 1,3-butanediol can be estimated to be 1(SRC). According to a classification scheme(2), this estimated Koc value suggests that 1,3-butanediol is expected to have very high mobility in soil.
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of Aug 10, 2015: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (2) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
0.02 mm Hg at 20 deg CDaubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.
MS-Links
1D-NMR-Links
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaTuber Aestivumn/aFortywoodland of the Basilicata regionMauriello et al. 2004
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaTuber Aestivumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)no


Butane-1,4-diol

Mass-Spectra

Compound Details

Synonymous names
1,4-BUTANEDIOL
Butane-1,4-diol
110-63-4
Tetramethylene glycol
1,4-Butylene glycol
1,4-Dihydroxybutane
1,4-Tetramethylene glycol
Tetramethylene 1,4-diol
Sucol B
DIOL 14B
1,4-BD
Agrisynth B1D
HO(CH2)4OH
CCRIS 5984
NSC 406696
HSDB 1112
HOCH2CH2CH2CH2OH
UNII-7XOO2LE6G3
EINECS 203-786-5
7XOO2LE6G3
BRN 1633445
1,4 butylene glycol
DTXSID2024666
CHEBI:41189
AI3-07553
MFCD00002968
NSC-406696
DTXCID804666
EC 203-786-5
4-01-00-02515 (Beilstein Handbook Reference)
BDO
Dabco DBO
BU1
CAS-110-63-4
Dihydroxybutane
4-hydroxybutanol
1,4butanediol
1.4-butanediol
Dabco BDO
1,4-butandiol
1,4-butane diol
1,4-butane-diol
butane 1,4-diol
butane diol-1,4
butane-1-4-diol
1,4- butandiol
Butan-1.4-diol
1.4 - butanediol
1,4-BUTANDIOLE
1,4-Butanediol, 99%
WLN: Q4Q
MLS001061198
CHEMBL171623
1,4-BUTANEDIOL [MI]
1,4-BUTANEDIOL [HSDB]
1,4-BUTANEDIOL [INCI]
HMS3039N12
Tox21_202245
Tox21_303040
NSC406696
STL283940
AKOS000118735
1,4-Butanediol, for synthesis, 98%
CS-W016669
DB01955
MCULE-2010022287
1,4-Butanediol, ReagentPlus(R), 99%
NCGC00090733-01
NCGC00090733-02
NCGC00257119-01
NCGC00259794-01
BP-21418
SMR000677930
1,4-Butanediol, ReagentPlus(R), >=99%
Polytetramethylene Ether Glycol Polyol 220
B0680
NS00006936
F71206
1,4-Butanediol, Vetec(TM) reagent grade, 98%
Q161521
J-503971
J-512798
F0001-0222
InChI=1/C4H10O2/c5-3-1-2-4-6/h5-6H,1-4H
732189-03-6
Microorganism:

Yes

IUPAC namebutane-1,4-diol
SMILESC(CCO)CO
InchiInChI=1S/C4H10O2/c5-3-1-2-4-6/h5-6H,1-4H2
FormulaC4H10O2
PubChem ID8064
Molweight90.12
LogP-0.8
Atoms6
Bonds3
H-bond Acceptor2
H-bond Donor2
Chemical Classificationalcohols diols
CHEBI-ID41189
Supernatural-IDSN0408263

mVOC Specific Details

Boiling Point
DegreeReference
229.5 °C peer reviewed
Volatilization
The Henry's Law constant for 1,4-butanediol is estimated as 1.3X10-9 atm-cu m/mole(SRC) derived from its vapor pressure, 0.0105 mm Hg(1), and assigned value for water solubility, 1X10+6 mg/L (miscible)(2). This Henry's Law constant indicates that 1,4-butanediol is expected to be essentially nonvolatile from water surfaces(3). 1,4-Butanediol's estimated Henry's Law constant indicates that volatilization from moist soil surfaces is unlikely to occur(SRC). 1,4-Butanediol is not expected to volatilize from dry soil surfaces(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 (1989) (2) Yalkowsky SH, Dannenfelser RM; Aquasol Database of Aqueous Solubility. Version 5. College of Pharmacy, University of Arizona - Tucson, AZ PC Version (1992) (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 1,4-butanediol is estimated as 8.4(SRC), using a log Kow of -0.84(1)and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that 1,4-butanediol is expected to have very high mobility in soil.
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.10 (1995) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc p. 4-9 (1990) (3) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
0.0105 mm Hg at 25 deg CDaubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaStaphylococcus AureusNANAFitzgerald et al. 2021
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaStaphylococcus AureusLBSPME/GC-MSno


2-(2-hydroxyethylamino)ethanol

Compound Details

Synonymous names
DIETHANOLAMINE
111-42-2
2,2'-Iminodiethanol
Diolamine
Iminodiethanol
2-(2-Hydroxyethylamino)ethanol
Bis(2-hydroxyethyl)amine
Diethylolamine
2,2'-Dihydroxydiethylamine
N,N-Diethanolamine
Diethanolamin
Ethanol, 2,2'-iminobis-
2,2'-Iminobisethanol
2,2'-Azanediyldiethanol
Di(2-hydroxyethyl)amine
N,N'-Iminodiethanol
Niax DEOA-LF
Diaethanolamin
Bis(hydroxyethyl)amine
Dabco DEOA-LF
N,N-Bis(2-hydroxyethyl)amine
2,2'-Iminodi-1-ethanol
2-[(2-hydroxyethyl)amino]ethan-1-ol
N,N-Di(hydroxyethyl)amine
61791-44-4
H2dea
NCI-C55174
Di(beta-hydroxyethyl)amine
Bis-2-hydroxyethylamine
Diethylamine, 2,2'-dihydroxy-
Diolamine [INN]
Tegoamin deoa 85
Ethanol, 2,2'-iminodi-
NSC 4959
2,2'Iminobisethanol
MFCD00002843
CCRIS 5906
HSDB 924
UNII-AZE05TDV2V
2,2'-Iminobis[ethanol]
AZE05TDV2V
2-[(2-Hydroxyethyl)amino]ethanol
NSC-4959
EINECS 203-868-0
bis-(2-hydroxy-ethyl)-amine
BRN 0605315
Diethanolamine (NF)
Diethanolamine [NF]
DTXSID3021932
CHEBI:28123
AI3-15335
61791-46-6
DTXCID601932
EC 203-868-0
2-((2-Hydroxyethyl)amino)ethanol
4-04-00-01514 (Beilstein Handbook Reference)
BIS(2-HYDROXYETHYL)-D8-AMINE
2,2'-iminobis(ethanol)
DIOLAMINE (MART.)
DIOLAMINE [MART.]
DIETHANOLAMINE (II)
DIETHANOLAMINE [II]
Diolamine (VAN)
DIETHANOLAMINE (IARC)
DIETHANOLAMINE [IARC]
AMINE,DIETHYL,2,2'-DIHYDROXY DIETHANOLAMINE
DIETHANOLAMINE (USP-RS)
DIETHANOLAMINE [USP-RS]
Diethanolamin [Czech]
Diaethanolamin [German]
CAS-111-42-2
TROLAMINE IMPURITY B (EP IMPURITY)
TROLAMINE IMPURITY B [EP IMPURITY]
2,2'-Dihydroxydiethyamine
diethanolarnine
diethanol amine
Aliphatic amine
2,2'-Iminobis
Diethanolamine, 99%
Ethanol,2'-iminodi-
N, N-diethanol amine
Ethanol,2'-iminobis-
bis-(2-hydroxyethyl)amine
bmse000371
Diethanol, 2,2'-imino-
DIETHANOLAMINE [MI]
Diethylamine,2'-dihydroxy-
SCHEMBL2324
bis-(2-hydroxyethyl)-amine
NCIOpen2_008991
WLN: Q2M2Q
(HOCH2 CH2)2NH
DIETHANOLAMINE [HSDB]
DIETHANOLAMINE [INCI]
ghl.PD_Mitscher_leg0.542
bis-(2-hydroxy-ethyl) amine
MLS001065608
BIDD:GT0277
DIETHANOLAMINE [VANDF]
Diethanolamine, LR, >=98%
CHEMBL119604
SCHEMBL5200828
2-(2-hydroxy-ethylamino)ethanol
2-(2-hydroxyethylamino)-ethanol
Diethanolamine, Biochemical grade
DI(2-HYDROXYETHYL) AMINE
NSC4959
2,2'-Azanediylbis(ethan-1-ol)
BIS-(2-HYDROXY)ETHYLAMINE
Diethanolamine, ACS reagent grade
2-(2-hydroxy-ethylamino)-ethanol
Diethanolamine, analytical standard
Diethanolamine, puriss., 99.0%
HMS2269D18
STR03965
2,2'-DIHYDROXYDIETHYL AMINE
Tox21_201701
Tox21_300034
Diethanolamine, BioXtra, >=98.5%
STL264122
2,2'-Iminodiethanol (Diethanolamine)
AKOS000119884
MCULE-9803420258
AMINE, DIETHYL, 2,2-DIHYDROXY-
Diethanolamine, ACS reagent, >=98.5%
NCGC00091478-01
NCGC00091478-02
NCGC00091478-03
NCGC00091478-04
NCGC00254061-01
NCGC00259250-01
BP-31238
Diethanolamine, reagent grade, >=98.0%
SMR000112130
Diethanolamine, BioUltra, >=99.5% (GC)
Diethanolamine, SAJ first grade, >=98.0%
I0008
NS00005053
S0376
Diethanolamine, JIS special grade, >=99.0%
EN300-19762
C06772
D02337
D92250
Q418437
J-506841
F2190-0311
Z104475196
BFC20619-2EDF-4764-8E91-830AA892BD39
Diethanolamine, puriss. p.a., ACS reagent, >=99.0% (GC)
InChI=1/C4H11NO2/c6-3-1-5-2-4-7/h5-7H,1-4H
Diethanolamine, United States Pharmacopeia (USP) Reference Standard
Trolamine impurity B, European Pharmacopoeia (EP) Reference Standard
Diethanolamine, Pharmaceutical Secondary Standard; Certified Reference Material
Microorganism:

Yes

IUPAC name2-(2-hydroxyethylamino)ethanol
SMILESC(CO)NCCO
InchiInChI=1S/C4H11NO2/c6-3-1-5-2-4-7/h5-7H,1-4H2
FormulaC4H11NO2
PubChem ID8113
Molweight105.14
LogP-1.4
Atoms7
Bonds4
H-bond Acceptor3
H-bond Donor3
Chemical Classificationamines diols nitrogen compounds alcohols
CHEBI-ID28123
Supernatural-IDSN0465663

mVOC Specific Details

Boiling Point
DegreeReference
268.8 °C peer reviewed
Volatilization
The Henry's Law constant for diethanolamine is estimated as 3.9X10-11 atm-cu m/mole(SRC) derived from its vapor pressure, 2.8X10-4 mm Hg(1), and water solubility, 1X10+6 mg/L(1). This Henry's Law constant indicates that diethanolamine is expected to be essentially nonvolatile from water and moist soil surfaces(2). Diethanolamine is not expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(1).
Soil Adsorption
The Koc of diethanolamine has been reported as 3.97(1) and an experimental log Koc of 0.60(2). According to a classification scheme(3), these Koc values suggest that diethanolamine is expected to have very high mobility in soil. The pKa of diethanolamine is 8.96(4), indicating that this compound will exist partially in cation form in the environment and cations generally adsorb more strongly to soils containing organic carbon and clay than their neutral counterparts(5). Diethanolamine has been shown to adsorb to humic acid which may be contained in soils and sediments(6). The adsorption of diethanolamine on humic acid changed very slightly from pH 4-8, (40-45% adsorption)(6).
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaStaphylococcus AureusNANAKaeslin et al. 2021
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaStaphylococcus AureusBHISESI-MSno


Naphthalene-1,3-diol

Compound Details

Synonymous names
1,3-Naphthalenediol
132-86-5
Naphthalene-1,3-diol
1,3-DIHYDROXYNAPHTHALENE
Naphthoresorcinol
Naphthoresoucinol
3-Hydroxybenzocyclohexadien-1-one
MFCD00003965
Naphthoresorcin
CCRIS 7896
NSC-115890
NSC 115890
AI3-08780
5X457YEW8Y
EINECS 205-079-7
BRN 2044002
UNII-5X457YEW8Y
QPI
1,3-Naphthalindiol
Naphthalenediol-(1,3)
2,4-dihydroxynaphthalene
1,3-dihydroxy-naphthalene
WLN: L66J BQ DQ
SCHEMBL28681
4-06-00-06543 (Beilstein Handbook Reference)
NAPHTHORESORCINOL [MI]
CHEMBL381547
LCZC2960
DTXSID8059631
BDBM23449
AMY6315
1,3-Naphthalenediol (8CI,9CI)
HY-D0165
NSC115890
STL416210
AKOS005145943
6-Methoxypyridine-2-carboxylicacidamide
MCULE-5763487755
s10388
AC-15068
DS-14529
SY010964
DB-027327
CS-0010073
D0588
NS00009425
1,3-Dihydroxynaphthalene, >=99%, crystalline
N-2150
A806508
Q27262989
InChI=1/C10H8O2/c11-8-5-7-3-1-2-4-9(7)10(12)6-8/h1-6,11-12
1,3-Dihydroxynaphthalene, for spectrophotometric det. of glucuronic acid according to Tollens, >=97.0%
Microorganism:

Yes

IUPAC namenaphthalene-1,3-diol
SMILESC1=CC=C2C(=C1)C=C(C=C2O)O
InchiInChI=1S/C10H8O2/c11-8-5-7-3-1-2-4-9(7)10(12)6-8/h1-6,11-12H
FormulaC10H8O2
PubChem ID8601
Molweight160.17
LogP2
Atoms12
Bonds0
H-bond Acceptor2
H-bond Donor2
Chemical Classificationbenzenoids diols phenols aromatic compounds
Supernatural-IDSN0435822

mVOC Specific Details

Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaAcinetobacter BaumanniiNANAGao et al. 2016
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaAcinetobacter BaumanniiBacT/ALERT SASPME/GC-MSno


(2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol

Mass-Spectra

Compound Details

Synonymous names
Cianidanol
(+)-catechin
CATECHIN
154-23-4
Catechuic acid
Catechinic acid
Cyanidanol
D-Catechin
Catergen
Cianidol
(+)-Catechol
(+)-Cyanidanol
Biocatechin
(+)-Cyanidan-3-ol
D-Catechol
D-(+)-Catechin
Dexcyanidanol
Catechin (flavan)
Catechol (flavan)
(+)-Catechin Hydrate
(2R,3S)-Catechin
(2R,3S)-2-(3,4-Dihydroxyphenyl)chroman-3,5,7-triol
3-Cyanidanol, (+)-
Cianidanolum
Transepar
(2R,3S)-(+)-Catechin
DL-Catechin
dl-Catechol
(2R,3S)-2-(3,4-dihydroxyphenyl)chromane-3,5,7-triol
CCRIS 6855
7295-85-4
Catechin, d-
(+)-Cianidanol
3,3',4',5,7-Flavanpentol
KB-53
(+)-3',4',5,7-Tetrahydroxy-2,3-trans-flavan-3-ol
NSC 2819
NSC-2819
2,3-trans-catechin
(+)-Cyanidanol-3
(2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
2,3-Dihydro-4-desoxoquercetin
CHEBI:15600
2H-1-Benzopyran-3,5,7-triol, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-, (2R-trans)-
Cianidanolum [INN-Latin]
AI3-22757
EINECS 205-825-1
(+)-(2R,3S)-5,7,3',4'-Tetrahydroxyflavan-3-ol
UNII-8R1V1STN48
Catechol (+)
(+/-)-Catechin
8R1V1STN48
NSC2819
(2R,3S)-3,3',4',5,7-Flavanpentol
CATECHIN, D
(2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol
2H-1-benzopyran-3,5,7-triol, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-, (2R,3S)-
Catechu
(2R-trans)-2-(3,4-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol
CHEMBL311498
DTXSID3022322
(+)-2-(3,4-Dihydroxyphenyl)-3,5,7-chromantriol
MFCD00075649
5J4Y243W61
100786-01-4
Gambier
Katha
trans-(+)-3,3',4',5,7-Flavanpentol
Zyma
Cianidanolum (INN-Latin)
Cyanidanol-3
CIANIDANOL (MART.)
CIANIDANOL [MART.]
(+)-Cyanidol-3
Cutch (dye)
(+)-(2R:3S)-5,7,3',4'-Tetrahydroxyflavan-3-ol
(+)-CATECHIN (USP-RS)
(+)-CATECHIN [USP-RS]
Catechin-(+,-) hydrate
Epicatechin-(-)
Catechin (hydrate)
Cianidanol [INN:JAN]
MLS001056745
(2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-1H-chromene-3,5,7-triol
Catechine dl-form
(+-)-catechin
(+/-)-catechol
KB 53
SR-01000075742
SMR000326724
Catechinate
Catechuate
Drenoliver
rac-catechin
Tanningenic acid
DL-Catechine
UNII-5J4Y243W61
(+)-Catechin;Cianidanol;Catechuic acid
Z 7300
Teafuran 30A
KXN
Prestwick_998
Sunkatol No. 1
EINECS 230-731-2
Slim 2
2-(3,4-Dihydroxyphenyl)chromane-3,5,7-triol
RACEMIC CATECHIN
Spectrum_000395
(+)-Catechin,(S)
2-(3,4-Dihydroxyphenyl)-3,5,7-chromanetriol #
CATECHIN [MI]
CATECHIN, DL-
CATECHIN [VANDF]
CIANIDANOL [INN]
CIANIDANOL [JAN]
Prestwick0_000642
Prestwick0_000817
Prestwick1_000642
Prestwick1_000817
Prestwick2_000642
Prestwick2_000817
Prestwick3_000642
Spectrum2_000167
Spectrum3_000242
Spectrum4_001763
Spectrum5_000345
Epitope ID:116872
(+/-)-Catechin xHydrate
CIANIDANOL [WHO-DD]
Lopac0_000219
SCHEMBL19741
BSPBio_000643
BSPBio_001624
KBioGR_002245
KBioSS_000875
8001-48-7
154-23-4 , anhydride
BIDD:ER0378
DivK1c_000647
SPBio_000033
SPBio_002564
SPBio_002634
CATECHIN DL-FORM [MI]
BPBio1_000709
cid_107957
DTXCID202322
(3S,2R)-2-(3,4-dihydroxyphenyl)chromane-3,5,7-triol
CATECHOL, (+/-)-
ACon1_001489
BDBM23416
BDBM60836
CIANIDANOL, (+/-)-
GTPL13091
HMS502A09
KBio1_000647
KBio2_000875
KBio2_003443
KBio2_006011
KBio3_001124
YK-85 Light Yellow Powder 85
4c94
NINDS_000647
DTXSID001349029
HMS1570A05
HMS1570D15
HMS2097A05
HMS3260L19
Pharmakon1600-00210205
(+)-Catechin, analytical standard
HY-N0898
TNP00270
Tox21_500219
CCG-40007
LMPK12020001
NSC755824
s3974
s4722
STL570276
trans3,3,4,5,7 pentahydroxyflavane
AKOS015960546
trans-2-(3,4-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol
CS-3759
DB14086
LP00219
MCULE-1532117250
ND-0342
NSC-755824
SDCCGMLS-0066526.P001
SDCCGSBI-0050207.P004
IDI1_000647
NCGC00017331-01
NCGC00017331-02
NCGC00017331-03
NCGC00017331-04
NCGC00017331-05
NCGC00017331-19
NCGC00093689-01
NCGC00093689-02
NCGC00093689-03
NCGC00260904-01
AC-11608
AC-35859
AS-72772
NCI60_002303
(+)-Catechin 1000 microg/mL in Acetone
SBI-0050207.P003
1ST000259
EU-0100219
NS00004541
( inverted exclamation markA)-Catechin hydrate
(+)-Catechin 1000 microg/mL in Acetonitrile
C 1251
C06562
D95105
H10916
AB00051886_13
EN300-6498629
(+/-)-Catechin 1000 microg/mL in Acetonitrile
A809512
A878497
NATURAL BROWN 3 (CUTCH EXTRA OR GAMBIER)
Q415007
(+)-CATECHIN (CONSTITUENT OF MARITIME PINE)
Q-100183
SR-01000075742-1
SR-01000075742-7
SR-01000075742-8
SR-01000075742-9
BRD-K58736316-001-07-9
BRD-K58736316-001-08-7
SR-01000075742-10
SR-01000075742-12
SR-01000075742-14
(+)-CATECHIN (CONSTITUENT OF MARITIME PINE) [DSC]
D4A04A57-7609-451F-A446-53F4DFAD15F5
(2R,3S)-2-(3,4-dihydroxyphenyl)chroman-3,5,7-triol;hydrate
(+)-Catechin, United States Pharmacopeia (USP) Reference Standard
(+)-CATECHIN (CONSTITUENT OF GRAPE SEEDS OLIGOMERIC PROANTHOCYANIDINS)
(+)-CATECHIN (CONSTITUENT OF POWDERED DECAFFEINATED GREEN TEA EXTRACT)
(+)-Catechin, Pharmaceutical Secondary Standard; Certified Reference Material
(2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol;hydrate
(2R,3S)-2-[3,4-bis(oxidanyl)phenyl]-3,4-dihydro-2H-chromene-3,5,7-triol;hydrate
(2R-trans)-2-(3,4-Dihydroxyphenyl)-3-4-dihydro-2H-1-benzopyran-3,5,7-triol
2-(3,4-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol, (2R-trans)
2H-1-Benzopyran-3,7-triol, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-, (2R-trans)-
2H-1-BENZOPYRAN-3,5,7-TRIOL, 2-(3,4-DIHYDROXYPHENYL)-3,4-DIHYDRO-, (2S,3R)-REL-
321-01-7
InChI=1/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s
Microorganism:

No

IUPAC name(2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
SMILESC1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O
InchiInChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1
FormulaC15H14O6
PubChem ID9064
Molweight290.27
LogP0.4
Atoms21
Bonds1
H-bond Acceptor6
H-bond Donor5
Chemical Classificationbenzenoids flavonoids aromatic compounds phenols diols ethers flavonols
CHEBI-ID15600
Supernatural-IDSN0284216-02

mVOC Specific Details

MS-Links
MS-MS Spectrum 179498
MS-MS Spectrum 5796 - LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) Negative
MS-MS Spectrum 2129 - Quattro_QQQ 25V Negative delivery=Flow_Injection analyzer=Triple_Quad
MS-MS Spectrum 179497
MS-MS Spectrum 5795 - LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) Positive
MS-MS Spectrum 179496
MS-MS Spectrum 201474
MS-MS Spectrum 201477
MS-MS Spectrum 226450
MS-MS Spectrum 201476
MS-MS Spectrum 181824
MS-MS Spectrum 201473
MS-MS Spectrum 181825
MS-MS Spectrum 201478
MS-MS Spectrum 201471
MS-MS Spectrum 2128 - Quattro_QQQ 10V Negative delivery=Flow_Injection analyzer=Triple_Quad
MS-MS Spectrum 201472
MS-MS Spectrum 226448
MS-MS Spectrum 226447
MS-MS Spectrum 201475
MS-MS Spectrum 181826
MS-MS Spectrum 226451
MS-MS Spectrum 226449
MS-MS Spectrum 2130 - Quattro_QQQ 40V Negative delivery=Flow_Injection analyzer=Triple_Quad
MS-MS Spectrum 226446
Massbank-Links
Massbank Spectrum MSBNK-BGC_Munich-RP017801
Massbank Spectrum MSBNK-BGC_Munich-RP017802
Massbank Spectrum MSBNK-BGC_Munich-RP017803
Massbank Spectrum MSBNK-BGC_Munich-RP017811
Massbank Spectrum MSBNK-BGC_Munich-RP017812
Massbank Spectrum MSBNK-BGC_Munich-RP017813
Massbank Spectrum MSBNK-BS-BS003013
Massbank Spectrum MSBNK-BS-BS003014
Massbank Spectrum MSBNK-BS-BS003015
Massbank Spectrum MSBNK-BS-BS003016
Massbank Spectrum MSBNK-IPB_Halle-PB001329
Massbank Spectrum MSBNK-IPB_Halle-PB001330
Massbank Spectrum MSBNK-IPB_Halle-PB001331
Massbank Spectrum MSBNK-IPB_Halle-PB001332
Massbank Spectrum MSBNK-IPB_Halle-PB002429
Massbank Spectrum MSBNK-IPB_Halle-PB002430
Massbank Spectrum MSBNK-IPB_Halle-PB002431
Massbank Spectrum MSBNK-IPB_Halle-PB002432
Massbank Spectrum MSBNK-RIKEN_ReSpect-PM000403
Massbank Spectrum MSBNK-RIKEN_ReSpect-PS045501
Massbank Spectrum MSBNK-RIKEN_ReSpect-PS045502
Massbank Spectrum MSBNK-RIKEN_ReSpect-PS045503
Massbank Spectrum MSBNK-RIKEN_ReSpect-PS045504
Massbank Spectrum MSBNK-RIKEN_ReSpect-PS045507
Massbank Spectrum MSBNK-RIKEN_ReSpect-PS045508
Massbank Spectrum MSBNK-RIKEN_ReSpect-PT104550
Massbank Spectrum MSBNK-RIKEN_ReSpect-PT204550
Massbank Spectrum MSBNK-RIKEN-PR100262
Massbank Spectrum MSBNK-RIKEN-PR100687
Massbank Spectrum MSBNK-RIKEN-PR302549
Massbank Spectrum MSBNK-RIKEN-PR302555
Massbank Spectrum MSBNK-RIKEN-PR302561
Massbank Spectrum MSBNK-RIKEN-PR302567
Massbank Spectrum MSBNK-RIKEN-PR302573
Massbank Spectrum MSBNK-RIKEN-PR302579
Massbank Spectrum MSBNK-RIKEN-PR302585
Massbank Spectrum MSBNK-RIKEN-PR302591
Massbank Spectrum MSBNK-RIKEN-PR302597
Massbank Spectrum MSBNK-RIKEN-PR302603
Massbank Spectrum MSBNK-RIKEN-PR302609
Massbank Spectrum MSBNK-RIKEN-PR302615

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaLentinus EdodesnaKoreaKim et al. 2008
EukaryotaAgaricus BlazeinaKoreaKim et al. 2008
EukaryotaGanoderma LucidumnaKoreaKim et al. 2008
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaLentinus EdodesnaHPLCyes
EukaryotaAgaricus BlazeinaHPLCyes
EukaryotaGanoderma LucidumnaHPLCyes


Pentane-2,4-diol

Compound Details

Synonymous names
2,4-PENTANEDIOL
625-69-4
Pentane-2,4-diol
2,4-Amylene glycol
Isoamylene alcohol
Pentanediol-2,4
dl-2,4-Pentanediol
2,4-Dihydroxypentane
92H536ZDXF
DTXSID9032878
MFCD00004549
NSC-13528
NSC-53505
WLN: QY&1YQ
2,4-Amyleneglycol
(R*,R*)-Pentane-2,4-diol
EINECS 210-907-5
NSC 13528
NSC 53505
UNII-92H536ZDXF
2,4-Pentanediol (dl+meso)
AI3-11547
MFCD00063893
MFCD00064276
2,4-pentandiol
2.4-Pentanediol
36402-52-5
2,4-Pentanediol, 98%
SCHEMBL37585
MLS001055336
CHEMBL1448046
DTXCID7012878
2,4-Pentanediol, >/=98%
(S,S)-(+)-2,4-Pentanediol
HMS3039M12
NSC13528
NSC53505
Tox21_200916
2,4-Pentanediol, (+/-) + meso
AKOS015912558
1,3-DIMETHYLPROPANE-1,3-DIOL
2,4-pentane diol (mixture of isomers)
NCGC00091004-01
NCGC00091004-02
NCGC00258470-01
AS-56664
CAS-625-69-4
SMR000673563
SY047099
SY066746
SY109425
[S-(S*,S*)]-(+)-2,4-Pentanediol
DB-050839
CS-0377993
NS00043941
P0670
D91996
EN300-658948
Q27271503
Microorganism:

Yes

IUPAC namepentane-2,4-diol
SMILESCC(CC(C)O)O
InchiInChI=1S/C5H12O2/c1-4(6)3-5(2)7/h4-7H,3H2,1-2H3
FormulaC5H12O2
PubChem ID12262
Molweight104.15
LogP0.1
Atoms7
Bonds2
H-bond Acceptor2
H-bond Donor2
Chemical Classificationdiols alcohols
Supernatural-IDSN0114614

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
Meyerozyma GuilliermondiiXiong et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
Meyerozyma GuilliermondiiYEPD, 10 g/L yeast extrac, 20 g/L peptone, 20 g dextroseGC-MS and GC-IMSno


1-phenylpropane-1,2-diol

Compound Details

Synonymous names
1-Phenylpropane-1,2-diol
1855-09-0
1,2-Propanediol, 1-phenyl-
1,2-Dihydroxy-1-phenylpropane
1-PHENYL-1,2-PROPANEDIOL
EINECS 217-452-1
(RS,RS)-2-Methyl-1-phenyl-1,2-ethanediol
1-phenyl-1,2-propane diol
SCHEMBL25159
DTXSID10883760
CHEBI:224860
DB-225879
NS00047065
Microorganism:

Yes

IUPAC name1-phenylpropane-1,2-diol
SMILESCC(C(C1=CC=CC=C1)O)O
InchiInChI=1S/C9H12O2/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9-11H,1H3
FormulaC9H12O2
PubChem ID15825
Molweight152.19
LogP1.1
Atoms11
Bonds2
H-bond Acceptor2
H-bond Donor2
Chemical Classificationalcohols benzenoids diols aromatic alcohols aromatic compounds
CHEBI-ID224860
Supernatural-IDSN0239643

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaSaccharomyces CerevisiaeNANAHarris et al. 2021
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaSaccharomyces Cerevisiaemalt extract brothHS-SPME with GC-MSno


2,2-dimethylpropane-1,3-diol

Compound Details

Synonymous names
Neopentyl glycol
126-30-7
2,2-Dimethylpropane-1,3-diol
2,2-DIMETHYL-1,3-PROPANEDIOL
1,3-Propanediol, 2,2-dimethyl-
Dimethylolpropane
Neopentanediol
Neopentylene glycol
Neopentylglycol
NPG Glycol
Neol
Dimethyltrimethylene glycol
Hydroxypivalyl alcohol
2,2-Dimethyltrimethylene glycol
NSC 55836
QI80HXD6S5
2,2-dimethyl-1,3-propandiol
DTXSID8027036
2,3 propanediol
NSC-6366
1,3-Dihydroxy-2,2-dimethylpropane
NSC-55836
DTXCID007036
WLN: Q1X1 & 1 & 1Q
CAS-126-30-7
Nexcoat 600
CCRIS 3273
2,2-Dimethyl-1,3 propanediol
EINECS 204-781-0
Propanediol, 2,2-dimethyl-, 1,3-
UNII-QI80HXD6S5
BRN 0605291
2,2-Bis(hydroxymethyl)propane
AI3-05739
MFCD00004685
2,2-dimethylolpropane
ORISTAR NPG
EC 204-781-0
SCHEMBL19621
CBDivE_004836
4-01-00-02551 (Beilstein Handbook Reference)
NEOPENTYL GLYCOL [MI]
NEOPENTYLGLYCOL ECAILLES
2,2-dimethylpropan-1,3-diol
2,2-dimethyl 1,3-propanediol
2.2-dimethyl-1,3-propanediol
NEOPENTYL GLYCOL [INCI]
2,3-Dimethyl-1,3-propanediol
CHEMBL3184801
HSDB 8424
2,2-dimethyl -1,3-propanediol
2,2-dimethyl-1,3-propane diol
2,2-dimethyl-propane-1,3-diol
NSC6366
CHEBI:143768
AMY25552
NSC55836
2,2-Dihydroxy-2,2-dimethylpropane
2,2-Dimethyl-1,3-dihydroxypropane
Tox21_201363
Tox21_303298
AKOS005068060
CS-W011300
MCULE-3663555151
2,2-Dimethyl-1,3-propanediol, 99%
NCGC00249034-01
NCGC00256980-01
NCGC00258915-01
AS-13611
DIMETHYL-1,3-PROPANEDIOL, 2,2-
D0791
NS00003307
EN300-30502
D71071
Q413855
J-506805
F0001-0385
InChI=1/C5H12O2/c1-5(2,3-6)4-7/h6-7H,3-4H2,1-2H
77498-68-1
Microorganism:

Yes

IUPAC name2,2-dimethylpropane-1,3-diol
SMILESCC(C)(CO)CO
InchiInChI=1S/C5H12O2/c1-5(2,3-6)4-7/h6-7H,3-4H2,1-2H3
FormulaC5H12O2
PubChem ID31344
Molweight104.15
LogP0
Atoms7
Bonds2
H-bond Acceptor2
H-bond Donor2
Chemical Classificationglycols diols
CHEBI-ID143768
Supernatural-IDSN0348507

mVOC Specific Details

Boiling Point
DegreeReference
207 °C peer reviewed
Volatilization
The Henry's Law constant for neopentyl glycol is estimated as 3.1X10-7 atm-cu m/mole(SRC) developed using a fragment constant estimation method(1). This Henry's Law constant indicates that neopentyl glycol 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 122 days(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 890 days(SRC). Neopentyl glycol's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Neopentyl glycol is is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 1.27X10-2 mm Hg(3).
Soil Adsorption
Using a structure estimation method based on molecular connectivity indices(1), the Koc of neopentyl glycol can be estimated to be 1(SRC). According to a classification scheme(2), this estimated Koc value suggests that neopentyl glycol is expected to have very high mobility in soil(SRC).

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaSaccharomyces CerevisiaeNANAHarris et al. 2021
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaSaccharomyces Cerevisiaemalt extract brothHS-SPME with GC-MSno


1-phenylbutane-1,2-diol

Compound Details

Synonymous names
1-phenylbutane-1,2-diol
1-Phenyl-1,2-butanediol
22607-13-2
1,2-Butanediol, 1-phenyl-
1-Phenyl-1,2-butanediol #
SCHEMBL6939841
DTXSID40945264
WFSOUGZEVPHHSM-UHFFFAOYSA-N
Microorganism:

Yes

IUPAC name1-phenylbutane-1,2-diol
SMILESCCC(C(C1=CC=CC=C1)O)O
InchiInChI=1S/C10H14O2/c1-2-9(11)10(12)8-6-4-3-5-7-8/h3-7,9-12H,2H2,1H3
FormulaC10H14O2
PubChem ID31433
Molweight166.22
LogP1.3
Atoms12
Bonds3
H-bond Acceptor2
H-bond Donor2
Chemical Classificationbenzenoids aromatic compounds alcohols diols

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaPaenibacillus Polymyxacollection TU GrazRybakova et al. 2017
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaPaenibacillus PolymyxaGC-MS / SPMEno


3-methylcyclopentane-1,2-diol

Mass-Spectra

Compound Details

Synonymous names
27583-37-5
3-METHYL-1,2-CYCLOPENTANEDIOL
3-methylcyclopentane-1,2-diol
1,2-Cyclopentanediol, 3-methyl-
3-Methylcyclopentan-1,2-diol
QHP8NDM33W
NSC-403839
NSC403839
3-Methylcyclopentanediol
UNII-QHP8NDM33W
SCHEMBL5831651
DTXSID50950248
KANFKJUPLALTDB-UHFFFAOYSA-N
3-Methyl-1,2-cyclopentanediol #
MFCD00019285
AKOS028113768
MCULE-3292232581
NSC 403839
AS-60735
DB-047248
CS-0021855
Microorganism:

Yes

IUPAC name3-methylcyclopentane-1,2-diol
SMILESCC1CCC(C1O)O
InchiInChI=1S/C6H12O2/c1-4-2-3-5(7)6(4)8/h4-8H,2-3H2,1H3
FormulaC6H12O2
PubChem ID33945
Molweight116.16
LogP0.3
Atoms8
Bonds0
H-bond Acceptor2
H-bond Donor2
Chemical Classificationalcohols diols
Supernatural-IDSN0180369

mVOC Specific Details

Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaBacillus Subtilisantibacterialsoil Malaysia and Tibet, China General Microbial culture center CGMCCXie et al. 2018
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaBacillus SubtilisLBSPME-GC-MSyes


Dodecane-1,2-diol

Mass-Spectra

Compound Details

Synonymous names
1,2-Dodecanediol
Dodecane-1,2-diol
1119-87-5
Lauryl glycol
1,2-Dihydroxydodecane
N-DODECANE-1,2-DIOL
1,2-DODECYLENE GLYCOL
2-HYDROXYLAURYL ALCOHOL
EMM0U4H102
1,2-Dodecanediol(Flakes or Chunks)
MFCD00004726
NSC-25930
UNII-EMM0U4H102
1,2-dodecandiol
NSC25930
EINECS 214-289-8
MEXANYL GU
AI3-13236
racemic 1,2-dodecanediol
1 pound not2-Dodecanediol
1,2-Dodecanediol, 90%
LAURYL GLYCOL [INCI]
SCHEMBL135220
(+/-)-LAURYL GLYCOL
DTXSID30862552
CHEBI:228133
LAURYL GLYCOL, (+/-)-
BAA11987
NSC 25930
AKOS015913407
BS-42289
SY051625
D1861
NS00013829
D78365
A894669
W-109645
Q27277242
Microorganism:

Yes

IUPAC namedodecane-1,2-diol
SMILESCCCCCCCCCCC(CO)O
InchiInChI=1S/C12H26O2/c1-2-3-4-5-6-7-8-9-10-12(14)11-13/h12-14H,2-11H2,1H3
FormulaC12H26O2
PubChem ID92866
Molweight202.33
LogP4
Atoms14
Bonds10
H-bond Acceptor2
H-bond Donor2
Chemical Classificationalcohols diols
CHEBI-ID228133

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaPseudomonas Fragin/aNAErcolini et al. 2009
EukaryotaSaccharomyces CerevisiaeNANAHarris et al. 2021
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaPseudomonas Fragin/an/ano
EukaryotaSaccharomyces Cerevisiaemalt extract brothHS-SPME with GC-MSno


(2R,3R)-butane-2,3-diol

Compound Details

Synonymous names
(2R,3R)-butane-2,3-diol
24347-58-8
(R,R)-2,3-butanediol
(2R,3R)-(-)-2,3-Butanediol
(R,R)-Butane-2,3-diol
2,3-Butanediol, (-)-
(2R,3R)-2,3-butanediol
6982-25-8
(R,R)-(-)-2,3-Butanediol
D-(-)-2,3-Butanediol
Levo-2,3-Butanediol
(R,R)-2,3-Butylene glycol
2,3-Butanediol, threo-
(R,R)-(-)-Butane-2,3-diol
(R,R)-(-)-2,3-Butylene Glycol
(-)-2,3-butanediol
(-)-(2R,3R)-Butanediol
6510BGK6C5
OR02B2286A
MFCD00064267
2,3-Butanediol, [R-(R*,R*)]-
2,3-Butanediol #
BU3
2,3-BUTANEDIOL, (R-(R*,R*))-
2,3-Butanediol, (R*,R*)-(+-)-
UNII-6510BGK6C5
UNII-OR02B2286A
(+/-)-2,3-BUTANEDIOL
NSC-249246
(2R,3R)-rel-2,3-Butanediol
EINECS 246-186-9
(2r,3r)-butanediol
(r,r)-2,3 butanediol
D(-)-2,3-butanediol
D-2,3-BUTANEDIOL
L-(-)-2,3-Butanediol
THREO-2,3-BUTANEDIOL
(-)-(r,r)-2,3-butanediol
CHEBI:16982
rel-(2R,3R)-2,3-Butanediol
2,3-Butanediol, (R*,R*)-
DTXSID801026532
DTXSID801031371
NSC15829
Rel-(2R,3R)-Butane-2,3-diol
(2R,3R)-(-)-2,3-butandiol
(R,R)-(-)-2,3-Dihydroxybutane
(2R, 3R)(-)-2,3-butanediol
BBL101946
NSC-15829
s3333
STL555743
(2R, 3R)-(-)-2,3-butanediol
AKOS015907648
AKOS016015450
CS-W016670
HY-W015954
2,3-BUTANEDIOL, (+/-)-
2,3-BUTANEDIOL, (2R,3R)-
AC-26496
AS-57289
BP-30189
2,3-BUTANEDIOL, (2R,3R)-REL-
2,3-BUTYLENE GLYCOL DL-THREO-FORM
(-)-(2R,3R)-2,3-BUTANEDIOL
DB-009316
(2R,3R)-(-)-2,3-Butanediol, 97%
B1161
NS00084625
2,3-BUTANEDIOL, (2R,3R)-(-)-
2,3-BUTYLENE GLYCOL D(-)-THREO-FORM
C03044
C91323
EN300-141851
2,3-BUTANEDIOL, (R*,R*)-(+/-)-
2,3-BUTYLENE GLYCOL DL-THREO-FORM [MI]
A817243
2,3-BUTYLENE GLYCOL D(-)-THREO-FORM [MI]
J-500969
J-506903
(2R,3R)-butane-2,3-diol;(2R,3R)-2,3-Butanediol
Q27102161
Z1255427387
Microorganism:

Yes

IUPAC name(2R,3R)-butane-2,3-diol
SMILESCC(C(C)O)O
InchiInChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3/t3-,4-/m1/s1
FormulaC4H10O2
PubChem ID225936
Molweight90.12
LogP-0.9
Atoms6
Bonds1
H-bond Acceptor2
H-bond Donor2
Chemical Classificationalcohols diols
CHEBI-ID16982
Supernatural-IDSN0276724-02

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaBacillus Subtilisgrowth promotingnaRyu et al. 2004
ProkaryotaBacillus Sp.Is a signal that promotes growth in Arabidopsis and can induce resistance against pathogens.NASchulz and Dickschat 2007
Bacillus ThuringiensisKoilybayeva et al. 2023
Bacillus ToyonensisKoilybayeva et al. 2023
Bacillus SafensisKoilybayeva et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaBacillus SubtilisMurashige and Skoog mediumcapillary GC;GC/MSyes
ProkaryotaBacillus Sp.n/an/ano
Bacillus Thuringiensisbacteriological agar (BA, 15 g/L), gelatin peptone (GP, 5 g/L), and meat extract (ME, 3 g/L)GC–MSno
Bacillus Toyonensisbacteriological agar (BA, 15 g/L), gelatin peptone (GP, 5 g/L), and meat extract (ME, 3 g/L)GC–MSno
Bacillus Safensisbacteriological agar (BA, 15 g/L), gelatin peptone (GP, 5 g/L), and meat extract (ME, 3 g/L)GC–MSno


(2R)-propane-1,2-diol

Compound Details

Synonymous names
4254-14-2
(R)-(-)-1,2-Propanediol
(R)-Propane-1,2-diol
(2R)-propane-1,2-diol
R-1,2-PROPANEDIOL
(R)-1,2-Propanediol
(R)-Propylene glycol
R-(-)-1,2-propanediol
(-)-1,2-Propanediol
(2R)-1,2-propanediol
(R)-(-)-1,2-Dihydroxypropane
1,2-Propanediol, (R)-
1-Deoxy-sn-glycerol
D-(-)-Propanediol
(-)-Propylene glycol
Propylene glycol, (R)-
R-(-)-Propylene glycol
Propylene glycol, (2R)-
NSC-90793
(R)-2-Hydroxy-1-propanol
1,2-Propanediol, (R)-(-)-
(R)-(-)-Propanediol
(R)-(-)-Propylene glycol
(R)-(-)-Propylene glycerol
602HN5L69H
MFCD00066248
propylenglycol
Prolugen
16922-04-6
Methyl glycol
propylene-glycol
C3H8O2
Ilexan P
Propylene glycol #
UNII-602HN5L69H
Aliphatic alcohol
Chilisa FE
a-Propylene glycol
D-1,2-propanediol
PROPYLENE GLYCOL L-FORM
Inhibited 1,2-propylene glycol
CHEBI:28972
DTXSID201009429
HY-Z0031
NSC90793
PROPYLENE GLYCOL L-FORM [MI]
AKOS015840306
CS-W020032
DB02159
(R)-(-)-1,2-Propanediol, 96%
AC-14032
AS-12361
NS00121071
P1152
C02912
EN300-201235
A825932
A905496
Q27093218
Z1255486379
Microorganism:

Yes

IUPAC name(2R)-propane-1,2-diol
SMILESCC(CO)O
InchiInChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3/t3-/m1/s1
FormulaC3H8O2
PubChem ID259994
Molweight76.09
LogP-0.9
Atoms5
Bonds1
H-bond Acceptor2
H-bond Donor2
Chemical Classificationalcohols diols
CHEBI-ID28972
Supernatural-IDSN0070308-01

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
Meyerozyma GuilliermondiiXiong et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
Meyerozyma GuilliermondiiYEPD, 10 g/L yeast extrac, 20 g/L peptone, 20 g dextroseGC-MS and GC-IMSno