3-[[5-Methyl-2-(1-methylethyl)cyclohexyl]oxy]-1,2-propanediol

1,2-Propanediol, 3-[[5-methyl-2-(1-methylethyl)cyclohexyl]oxy]-
3-((2-Isopropyl-5-methylcyclohexyl)oxy)propane-1,2-diol
3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropane-1,2-diol
3-[[5-Methyl-2-(propan-2-yl)cyclohexyl]oxy]propane-1,2-diol

Property	Value
Elemental charge chemrof:elemental_charge	0
InChI2D key string chemrof:inchi2d_key_string	MDVYIGJINBYKOM-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C13H26O3/c1-9(2)12-5-4-10(3)6-13(12)16-8-11(15)7-14/h9-15H,4-8H2,1-3H3
IUPAC name chemrof:IUPAC_name	3-[[5-Methyl-2-(1-methylethyl)cyclohexyl]oxy]-1,2-propanediol
Molecular formula chemrof:molecular_formula	C13H26O3
Molecular mass chemrof:molecular_mass	230.348
Monoisotopic mass chemrof:monoisotopic_mass	230.18819, 230.188195
SMILES string chemrof:smiles_string	CC1CCC(C(C)C)C(OCC(O)CO)C1

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource	URL	Recorded by
CAS Common Chemistry	https://commonchemistry.cas.org/detail?cas_rn=87061-04-9	enrich_references.chebi_xrefs
ChEBI	https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:180392	enrich_references.chebi_id_link
chem.echa.europa.eu	https://chem.echa.europa.eu/100.081.149	enrich_references.pubchem_identifier_url
ChemSpider	https://www.chemspider.com/Chemical-Structure.4515105.html	enrich_references.chebi_xrefs
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID20868962	enrich_references.pubchem_identifier_url
HMDB	https://hmdb.ca/metabolites/HMDB0036133	enrich_references.chebi_xrefs
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J60.959E	enrich_references.pubchem_identifier_url
metabolomicsworkbench.org	https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=47206	enrich_references.pubchem_identifier_url
pharos.nih.gov	https://pharos.nih.gov/ligands/8LPWKTFKN7ZG	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/5362595	enrich_references.pubchem_compound
wikidata.org	https://www.wikidata.org/wiki/Q6555469	enrich_references.pubchem_identifier_url
Wikipedia	https://en.wikipedia.org/wiki/Menthoxypropanediol	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
3837981c-807a-437d-83e5-acf59b6ef4b0	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
9f0ab493-f575-49a0-8b63-2ee0cdf5e05f	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
cb2a537b-5d71-4066-9144-fb8a9fcbc00a	Environmental → Air → Indoor	EF 3.1	kg	2
8d99e4b5-cd45-4bb3-8e1c-a493f7e92caa	Environmental → Air → Long-term	EF 3.1	kg	0
b1f86b37-00af-4680-a825-e331ad68bf03	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
d6fc2b5a-9678-48a4-a319-2c2f5dc36f37	Environmental → Air → Unknown	EF 3.1	kg	2
fda8abc2-cd01-4338-a5d1-075836412564	Environmental → Ground → Agricultural	EF 3.1	kg	2
46404dd2-c1c9-4200-a667-d3047f1ab4ef	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
79440ff3-6354-4039-853b-8e5e9d81e6b2	Environmental → Ground → Unknown	EF 3.1	kg	2
7dd92f41-124a-4e02-9c7f-d795b739967c	Environmental → Water → Long-term	EF 3.1	kg	0
597aa9e8-63bb-481f-bc61-0f8ad21d292c	Environmental → Water → Ocean	EF 3.1	kg	2
0f4cac6b-0f73-4386-aa9e-eb2f15f8d917	Environmental → Water → Surface water	EF 3.1	kg	2
dcf3c0ae-dd07-4ef0-a558-c7cdd406185c	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (56 changes)

Open the changes page

Flow object JSON

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          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
        "289-296-2"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=289-296-2"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "ec_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

3-[[5-Methyl-2-(1-methylethyl)cyclohexyl]oxy]-1,2-propanediol

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

Full record

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