# 2-methylcyclohexanone (Q20968563)

| Property ID | Property | Value | Value entity | Amount | Unit | Date / from | Until | Rank | Sources |
| --- | --- | --- | --- | ---: | --- | --- | --- | --- | --- |
| P1931 | NIOSH Pocket Guide ID | 0408 |  |  |  |  |  | normal |  |
| P31 | Instance of | group of stereoisomers | Q59199015 |  |  |  |  | normal |  |
| P2054 | Density | 0.93 g/cm³ |  | 0.93 | g/cm³ |  |  | normal | http://www.cdc.gov/niosh/npg/npgd0408.html |
| P1542 | Has effect | o-methylcyclohexanone exposure | Q21174908 |  |  |  |  | normal | http://www.cdc.gov/niosh/npg/npgd0408.html |
| P2129 | Immediately dangerous to life or health | 2,754 milligram per cubic metre |  | 2754 | milligram per cubic metre |  |  | normal | http://www.cdc.gov/niosh/npg/npgd0408.html |
| P2101 | Melting point | 7°F |  | 7 | °F |  |  | normal | http://www.cdc.gov/niosh/npg/npgd0408.html |
| P2101 | Melting point | -14°C |  | -14 | °C |  |  | normal | Jean-Claude Bradley Open Melting Point Dataset |
| P2102 | Boiling point | 325°F |  | 325 | °F |  |  | normal | http://www.cdc.gov/niosh/npg/npgd0408.html |
| P2119 | Vapor pressure | 1 millimetre of mercury |  | 1 | millimetre of mercury |  |  | normal | http://www.cdc.gov/niosh/npg/npgd0408.html |
| P2128 | Flash point | 118°F |  | 118 | °F |  |  | normal | http://www.cdc.gov/niosh/npg/npgd0408.html |
| P2404 | Time-weighted average exposure limit | 460 milligram per cubic metre |  | 460 | milligram per cubic metre |  |  | normal | http://www.cdc.gov/niosh/npg/npgd0408.html |
| P2404 | Time-weighted average exposure limit | 230 milligram per cubic metre |  | 230 | milligram per cubic metre |  |  | normal | http://www.cdc.gov/niosh/npg/npgd0408.html |
| P2407 | Short-term exposure limit | 345 milligram per cubic metre |  | 345 | milligram per cubic metre |  |  | normal | http://www.cdc.gov/niosh/npg/npgd0408.html |
| P274 | Formula | C₇H₁₂O |  |  |  |  |  | normal | PubChem |
| P233 | Canonical SMILES | CC1CCCCC1=O |  |  |  |  |  | normal | PubChem |
| P2067 | Mass | 112.089 Da |  | 112.089 | Da |  |  | normal | PubChem |
| P703 | Found in taxon | tomato | Q23501 |  |  |  |  | normal | Relationships between the volatile compounds evaluated by solid phase microextraction and the thermal treatment of tomato juice: optimization of the blanching parameters |
| P279 | Subclass of | methylcyclohexanone | Q27094514 |  |  |  |  | normal |  |
| P1552 | Has characteristic | Class II combustible liquid | Q21009057 |  |  |  |  | normal | http://www.cdc.gov/niosh/npg/npgd0408.html |
| P3335 | Associated hazard | o-methylcyclohexanone exposure | Q21174908 |  |  |  |  | normal |  |
| P11931 | CAMEO Chemicals ID | 3921 |  |  |  |  |  | normal | https://cameochemicals.noaa.gov/chemical/3921 |
| P231 | CAS Registry Number | 583-60-8 |  |  |  |  |  | normal | https://commonchemistry.cas.org/detail?cas_rn=583-60-8 |
| P683 | ChEBI ID | 195390 |  |  |  |  |  | normal | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:195390 |
| P592 | ChEMBL ID | CHEMBL1946183 |  |  |  |  |  | normal | https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL1946183/ |
| P661 | ChemSpider ID | 10939 |  |  |  |  |  | normal | https://www.chemspider.com/Chemical-Structure.10939.html |
| P8494 | DSSTOX compound identifier | DTXCID1030816 |  |  |  |  |  | normal | https://comptox.epa.gov/dashboard/DTXCID1030816 |
| P3117 | DSSTox substance ID | DTXSID6052245 |  |  |  |  |  | normal | https://comptox.epa.gov/dashboard/chemical/details/DTXSID6052245 |
| P232 | EC number | 209-513-6 |  |  |  |  |  | normal | https://www.echa.europa.eu/information-on-chemicals/ec-inventory/-/dislist/details/209-513-6 |
| P2566 | ECHA Substance Infocard ID | 100.008.650 |  |  |  |  |  | normal | https://www.echa.europa.eu/substance-information/-/substanceinfo/100.008.650 |
| P9066 | FL number | 07.179 |  |  |  |  |  | normal |  |
| P7025 | HCIS ID | 2989 |  |  |  |  |  | normal | https://hcis.safeworkaustralia.gov.au/HazardousChemical/Details?chemicalID=2989 |
| P2062 | HSDB ID | 2917 |  |  |  |  |  | normal | https://pubchem.ncbi.nlm.nih.gov/source/hsdb/2917 |
| P2057 | Human Metabolome Database ID | HMDB0031539 |  |  |  |  |  | normal | https://www.hmdb.ca/metabolites/HMDB0031539 |
| P234 | InChI | InChI=1S/C7H12O/c1-6-4-2-3-5-7(6)8/h6H,2-5H2,1H3 |  |  |  |  |  | normal | https://chemapps.stolaf.edu/jmol/jmol.php?&model=InChI%3D1S/C7H12O/c1-6-4-2-3-5-7(6)8/h6H%2C2-5H2%2C1H3 |
| P235 | InChIKey | LFSAPCRASZRSKS-UHFFFAOYSA-N |  |  |  |  |  | normal | https://www.ncbi.nlm.nih.gov/sites/entrez?cmd=search&db=pccompound&term=%22LFSAPCRASZRSKS-UHFFFAOYSA-N%22%5BInChIKey%5D |
| P9557 | JECFA number | 1102 |  |  |  |  |  | normal |  |
| P2064 | KNApSAcK ID | C00062304 |  |  |  |  |  | normal | https://www.knapsackfamily.com/knapsack_core/information.php?sname=C_ID&word=C00062304 |
| P6689 | MassBank accession ID | MSBNK-Fac_Eng_Univ_Tokyo-JP000034 |  |  |  |  |  | normal | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fac_Eng_Univ_Tokyo-JP000034 |
| P9405 | NMRShiftDB structure ID | 10008870 |  |  |  |  |  | normal | https://nmrshiftdb.nmr.uni-koeln.de/molecule/10008870 |
| P2840 | NSC number | 524 |  |  |  |  |  | normal | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&chemnameboolean=and&outputformat=html&searchlist=524&Submit=Submit |
| P12594 | OSHA Occupational Chemical Database ID | 424 |  |  |  |  |  | normal | https://www.osha.gov/chemicaldata/424 |
| P11199 | Probes And Drugs ID | PD164977 |  |  |  |  |  | normal | https://www.probes-drugs.org/compound/PD164977 |
| P662 | PubChem CID | 11419 |  |  |  |  |  | normal | https://pubchem.ncbi.nlm.nih.gov/compound/11419 |
| P657 | RTECS number | GW1750000 |  |  |  |  |  | normal |  |
| P4964 | SPLASH | splash10-066r-9100000000-72692ff8e12de3c934c7 |  |  |  |  |  | normal | https://mona.fiehnlab.ucdavis.edu/spectra/browse?query=exists(splash.splash:'splash10-066r-9100000000-72692ff8e12de3c934c7') |
| P2877 | SureChEMBL ID | 20714 |  |  |  |  |  | normal | https://www.surechembl.org/chemical/20714 |
| P11089 | UniChem compound ID | 24677083 |  |  |  |  |  | normal | https://www.ebi.ac.uk/unichem/compoundsources?type=uci&compound=24677083 |
| P652 | UNII | 56E8224ZFJ |  |  |  |  |  | normal | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/56E8224ZFJ |
| P679 | ZVG number | 31820 |  |  |  |  |  | normal | https://wikidata-externalid-url.toolforge.org/?p=679&url_prefix=https%3A%2F%2Fgestis.dguv.de%2Fdata%3Flang%3Den%26name%3D&id=31820 |

Source: https://aidb.si/e/2-methylcyclohexanone-Q20968563 — Wikidata (CC0) via AIDb