# etohexadiol (Q992192) | Property ID | Property | Value | Value entity | Amount | Unit | Date / from | Until | Rank | Sources | | --- | --- | --- | --- | ---: | --- | --- | --- | --- | --- | | P31 | Instance of | type of chemical entity | Q113145171 | | | | | normal | | | P233 | Canonical SMILES | CCCC(C(CC)CO)O | | | | | | normal | PubChem | | P274 | Formula | C₈H₁₈O₂ | | | | | | normal | PubChem | | P2067 | Mass | 146.131 Da | | 146.131 | Da | | | normal | PubChem | | P2101 | Melting point | -40°C | | -40 | °C | | | normal | Jean-Claude Bradley Open Melting Point Dataset \| CRC Handbook of Chemistry and Physics (97th edition) \| GESTIS database | | P279 | Subclass of | alkanediols | Q20054492 | | | | | normal | | | P2102 | Boiling point | 243°C | | 243 | °C | | | normal | CRC Handbook of Chemistry and Physics (97th edition) | | P2102 | Boiling point | 244.2°C | | 244.2 | °C | | | normal | The Merck Index. An Encyclopedia of Chemicals, Drugs, and Biologicals, 15th edition | | P2102 | Boiling point | 163°C | | 163 | °C | | | normal | The Merck Index. An Encyclopedia of Chemicals, Drugs, and Biologicals, 15th edition | | P2102 | Boiling point | 129°C | | 129 | °C | | | normal | The Merck Index. An Encyclopedia of Chemicals, Drugs, and Biologicals, 15th edition | | P2102 | Boiling point | 102°C | | 102 | °C | | | normal | The Merck Index. An Encyclopedia of Chemicals, Drugs, and Biologicals, 15th edition | | P2102 | Boiling point | 95°C | | 95 | °C | | | normal | The Merck Index. An Encyclopedia of Chemicals, Drugs, and Biologicals, 15th edition | | P2054 | Density | 0.9325 g/cm³ | | 0.9325 | g/cm³ | | | normal | CRC Handbook of Chemistry and Physics (97th edition) | | P2054 | Density | 0.94 g/cm³ | | 0.94 | g/cm³ | | | normal | GESTIS database | | P1109 | Refractive index | 1.4497 | | 1.4497 | | | | normal | CRC Handbook of Chemistry and Physics (97th edition) | | P1109 | Refractive index | 1.453 | | 1.453 | | | | normal | The Merck Index. An Encyclopedia of Chemicals, Drugs, and Biologicals, 15th edition | | P2177 | Solubility | unknown | | | | | | normal | CRC Handbook of Chemistry and Physics (97th edition) \| The Merck Index. An Encyclopedia of Chemicals, Drugs, and Biologicals, 15th edition | | P2177 | Solubility | unknown | | | | | | normal | CRC Handbook of Chemistry and Physics (97th edition) | | P2177 | Solubility | unknown | | | | | | normal | The Merck Index. An Encyclopedia of Chemicals, Drugs, and Biologicals, 15th edition | | P2177 | Solubility | unknown | | | | | | normal | The Merck Index. An Encyclopedia of Chemicals, Drugs, and Biologicals, 15th edition | | P2177 | Solubility | unknown | | | | | | normal | The Merck Index. An Encyclopedia of Chemicals, Drugs, and Biologicals, 15th edition | | P2177 | Solubility | 42 g/L | | 42 | g/L | | | normal | GESTIS database | | P462 | Color | colorless | Q1396399 | | | | | normal | The Merck Index. An Encyclopedia of Chemicals, Drugs, and Biologicals, 15th edition \| GESTIS database | | P5872 | Smells of | none | | | | | | normal | The Merck Index. An Encyclopedia of Chemicals, Drugs, and Biologicals, 15th edition \| GESTIS database | | P2128 | Flash point | 260°F | | 260 | °F | | | normal | The Merck Index. An Encyclopedia of Chemicals, Drugs, and Biologicals, 15th edition | | P2128 | Flash point | 127°C | | 127 | °C | | | normal | CRC Handbook of Chemistry and Physics (97th edition) | | P2128 | Flash point | 136°C | | 136 | °C | | | normal | GESTIS database | | P2119 | Vapor pressure | 0.01 millimetre of mercury | | 0.01 | millimetre of mercury | | | normal | The Merck Index. An Encyclopedia of Chemicals, Drugs, and Biologicals, 15th edition \| GESTIS database | | P3070 | Dynamic viscosity | 271 centipoise | | 271 | centipoise | | | normal | The Merck Index. An Encyclopedia of Chemicals, Drugs, and Biologicals, 15th edition | | P3070 | Dynamic viscosity | 323 millipascal second | | 323 | millipascal second | | | normal | GESTIS database | | P5675 | Relative permittivity | 18.73 | | 18.73 | | | | normal | CRC Handbook of Chemistry and Physics (97th edition) | | P2199 | Autoignition temperature | 360°C | | 360 | °C | | | normal | CRC Handbook of Chemistry and Physics (97th edition) | | P2199 | Autoignition temperature | 340°C | | 340 | °C | | | normal | GESTIS database | | P2240 | Median lethal dose (LD50) | 2,000 milligram per kilogram | | 2000 | milligram per kilogram | | | normal | GESTIS database | | P4952 | Safety classification and labelling | Regulation (EC) No. 1272/2008 | Q2005334 | | | | | normal | GESTIS database | | P366 | Has use | repellent | Q1340459 | | | | | normal | | | P267 | ATC code | P03BX06 | | | | | | normal | https://www.whocc.no/atc_ddd_index/?code=P03BX06 | | P8072 | CAB ID | 151482 | | | | | | normal | https://www.cabi.org/cabithesaurus/mtwdk.exe?k=default&l=60&w=151482&s=5&t=2 | | P231 | CAS Registry Number | 94-96-2 | | | | | | normal | https://commonchemistry.cas.org/detail?cas_rn=94-96-2 | | P683 | ChEBI ID | 34273 | | | | | | normal | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:34273 | | P592 | ChEMBL ID | CHEMBL1451179 | | | | | | normal | https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL1451179/ | | P661 | ChemSpider ID | 21106534 | | | | | | normal | https://www.chemspider.com/Chemical-Structure.21106534.html | | P3073 | CosIng number | 33823 | | | | | | normal | https://ec.europa.eu/growth/tools-databases/cosing/details/33823 | | P715 | DrugBank ID | DB13826 | | | | | | normal | https://go.drugbank.com/drugs/DB13826 | | P11198 | DrugCentral ID | 4774 | | | | | | normal | https://drugcentral.org/drugcard/4774 | | P8494 | DSSTOX compound identifier | DTXCID405292 | | | | | | normal | https://comptox.epa.gov/dashboard/DTXCID405292 | | P3117 | DSSTox substance ID | DTXSID4025292 | | | | | | normal | https://comptox.epa.gov/dashboard/chemical/details/DTXSID4025292 | | P232 | EC number | 202-377-9 | | | | | | normal | https://www.echa.europa.eu/information-on-chemicals/ec-inventory/-/dislist/details/202-377-9 | | P2566 | ECHA Substance Infocard ID | 100.002.162 | | | | | | normal | https://www.echa.europa.eu/substance-information/-/substanceinfo/100.002.162 | | P646 | Freebase ID | /m/065zrbb | | | | | | normal | https://www.google.com/search?kgmid=/m/065zrbb | | P7025 | HCIS ID | 2000 | | | | | | normal | https://hcis.safeworkaustralia.gov.au/HazardousChemical/Details?chemicalID=2000 | | P2062 | HSDB ID | 1716 | | | | | | normal | https://pubchem.ncbi.nlm.nih.gov/source/hsdb/1716 | | P234 | InChI | InChI=1S/C8H18O2/c1-3-5-8(10)7(4-2)6-9/h7-10H,3-6H2,1-2H3 | | | | | | normal | https://chemapps.stolaf.edu/jmol/jmol.php?&model=InChI%3D1S/C8H18O2/c1-3-5-8(10)7(4-2)6-9/h7-10H%2C3-6H2%2C1-2H3 | | P235 | InChIKey | RWLALWYNXFYRGW-UHFFFAOYSA-N | | | | | | normal | https://www.ncbi.nlm.nih.gov/sites/entrez?cmd=search&db=pccompound&term=%22RWLALWYNXFYRGW-UHFFFAOYSA-N%22%5BInChIKey%5D | | P7783 | J-GLOBAL ID | 200907076724489598 | | | | | | normal | https://jglobal.jst.go.jp/en/detail?JGLOBAL_ID=200907076724489598 | | P665 | KEGG ID | C14271 | | | | | | normal | https://www.kegg.jp/entry/C14271 | | P2085 | Nikkaji ID | J4.705H | | | | | | normal | https://jglobal.jst.go.jp/redirect?Nikkaji_No=J4.705H | | P9405 | NMRShiftDB structure ID | 20098663 | | | | | | normal | https://nmrshiftdb.nmr.uni-koeln.de/molecule/20098663 | | P2840 | NSC number | 3881 | | | | | | normal | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&chemnameboolean=and&outputformat=html&searchlist=3881&Submit=Submit | | P11949 | PesticideInfo chemical ID | PRI3102 | | | | | | normal | https://www.pesticideinfo.org/chemical/PRI3102 | | P11199 | Probes And Drugs ID | PD013880 | | | | | | normal | https://www.probes-drugs.org/compound/PD013880 | | P662 | PubChem CID | 7211 | | | | | | normal | https://pubchem.ncbi.nlm.nih.gov/compound/7211 | | P3345 | RxNorm CUI | 1362891 | | | | | | normal | https://mor.nlm.nih.gov/RxNav/search?searchBy=RXCUI&searchTerm=1362891 | | P2877 | SureChEMBL ID | 38007 | | | | | | normal | https://www.surechembl.org/chemical/38007 | | P11089 | UniChem compound ID | 758489 | | | | | | normal | https://www.ebi.ac.uk/unichem/compoundsources?type=uci&compound=758489 | | P652 | UNII | M9JGK7U88V | | | | | | normal | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/M9JGK7U88V | | P679 | ZVG number | 32440 | | | | | | normal | https://wikidata-externalid-url.toolforge.org/?p=679&url_prefix=https%3A%2F%2Fgestis.dguv.de%2Fdata%3Flang%3Den%26name%3D&id=32440 | Source: https://aidb.si/e/etohexadiol-Q992192 — Wikidata (CC0) via AIDb