Results for:
PubChem ID: 7962

Methylcyclohexane

Mass-Spectra

Compound Details

Synonymous names	METHYLCYCLOHEXANE 108-87-2 Cyclohexane, methyl- Hexahydrotoluene Cyclohexylmethane Toluene hexahydride Hexahydroxytoluene Sextone B Toluene, hexahydro- methyl cyclohexane Metylocykloheksan methyl-cyclohexane HSDB 98 NSC 9391 UNII-H5WXT3SV31 EINECS 203-624-3 METHYLCYCLOHEXANE-D11 (RING-D11) H5WXT3SV31 DTXSID0047749 AI3-18132 NSC-9391 DTXCID4027733 CHEBI:165745 EC 203-624-3 Metylocykloheksan [Polish] METHYLCYCLOHEXANE (USP-RS) METHYLCYCLOHEXANE [USP-RS] UN2296 methycyclohexane 1-methylcyclohexane 2-methylcyclohexane MFCD00001497 MCHX Methylcyclohexane, 99% TOLUENE, HEXAHYDRO WLN: L6TJ A1 METHYLCYCLOHEXANE [MI] METHYLCYCLOHEXANE [HSDB] NSC9391 Tox21_303867 LMFA11000660 Methylcyclohexane, analytical standard Methylcyclohexane, anhydrous, >=99% AKOS015842776 MCULE-3843525768 UN 2296 Methylcyclohexane, ReagentPlus(R), 99% NCGC00357267-01 CAS-108-87-2 for HPLC, inverted exclamation markY99% M0190 M0244 M0627 NS00002209 Methylcyclohexane 1000 microg/mL in Methanol Methylcyclohexane [UN2296] [Flammable liquid] Methylcyclohexane 100 microg/mL in Acetonitrile Methylcyclohexane, spectrophotometric grade, 99% A801936 Q419330 J-522692 InChI=1/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H Methylcyclohexane, purum, absolute, over molecular sieve (H2O <=0.005%), >=98.0% (GC)
Microorganism:	Yes
IUPAC name	methylcyclohexane
SMILES	CC1CCCCC1
Inchi	InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3
Formula	C7H14
PubChem ID	7962
Molweight	98.19
LogP	3.6
Atoms	7
Bonds	0
H-bond Acceptor	0
H-bond Donor	0
Chemical Classification	alkanes cycloalkanes
CHEBI-ID	165745
Supernatural-ID	SN0364882

mVOC Specific Details

Boiling Point	Degree Reference 100.9 °C peer reviewed
Vapor Pressure	Pressure Reference 46 MM HG @ 25 DEG C Daubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.
Massbank-Links	Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP004796 Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP005325 Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP010754 Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP010773 Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP012177 Massbank Spectrum MSBNK-MSSJ-MSJ00087

Species emitting the compound

Kingdom Species Biological Function Origin/Habitat Reference Prokaryota Bacillus Megaterium NA Mannaa et al. 2018 Eukaryota Malassezia Globosa Fungal Biodiversity Center (WesterdijkInstitute, Utrecht, The Netherlands) Rios-Navarro et al. 2023 Eukaryota Malassezia Restricta Fungal Biodiversity Center (WesterdijkInstitute, Utrecht, The Netherlands) Rios-Navarro et al. 2023 Eukaryota Malassezia Sympodialis Fungal Biodiversity Center (WesterdijkInstitute, Utrecht, The Netherlands) Rios-Navarro et al. 2023 Prokaryota Moraxella Catarrhalis could serve as potential biomarkers to distinguish between viruses and bacteria NA Abd El Qader et al. 2015 Prokaryota Haemophilus Influenzae could serve as potential biomarkers to distinguish between viruses and bacteria NA Abd El Qader et al. 2015 Prokaryota Legionella Pneumophila could serve as potential biomarkers to distinguish between viruses and bacteria NA Abd El Qader et al. 2015 Eukaryota Trichoderma Viride n/a NA Wheatley et al. 1997 Prokaryota Moraxella Catarrhalis infectious bacterial activity humans, respiratory infections Abd El Qader et al. 2015 Prokaryota Haemophilus Influenzae infectious bacterial activity humans, respiratory infections Abd El Qader et al. 2015 Prokaryota Legionella Pneumophila infectious bacterial activity humans, respiratory infections Abd El Qader et al. 2015 Prokaryota Burkholderia Tropica n/a NA Tenorio-Salgado et al. 2013 Mycobacterium Ulcerans Chudy et al. 2024

Method

Kingdom Species Growth Medium Applied Method Verification Prokaryota Bacillus Megaterium tryptic soy broth (TSB) gastight syringe, GC-MS no Eukaryota Malassezia Globosa modified Dixon agar HS-SPME/GC-MS no Eukaryota Malassezia Restricta modified Dixon agar HS-SPME/GC-MS no Eukaryota Malassezia Sympodialis modified Dixon agar HS-SPME/GC-MS no Prokaryota Moraxella Catarrhalis blood culture SPME/GC-MS no Prokaryota Haemophilus Influenzae blood culture SPME/GC-MS no Prokaryota Legionella Pneumophila blood culture SPME/GC-MS no Eukaryota Trichoderma Viride Malt extract/Low medium GC/MS no Prokaryota Moraxella Catarrhalis blood culture medium SPME-GC-MS no Prokaryota Haemophilus Influenzae blood culture medium SPME-GC-MS no Prokaryota Legionella Pneumophila blood culture medium SPME-GC-MS no Prokaryota Burkholderia Tropica Potato dextrose agar Headspace trapping/ GC-MS no Mycobacterium Ulcerans NA GCMS–GP2010 no