(rs)-1,2-dihydroxyhexane

(±)-Hexane-1,2-diol
1,2-Dihydroxyhexane
1,2-Hexanediol
1,2-Hexyleneglycol
5,6-Dihydroxyhexane
Dermasoft Hexiol
Dermosoft Hexiol
DL-1,2-Hexanediol
Hydrolite 6
Microcare Emollient HXD

Property	Value
InChI2D key string chemrof:inchi2d_key_string	FHKSXSQHXQEMOK-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C6H14O2/c1-2-3-4-6(8)5-7/h6-8H,2-5H2,1H3
IUPAC name chemrof:IUPAC_name	1,2-hexanediol, (rs)-1,2-dihydroxyhexane
Molecular formula chemrof:molecular_formula	C6H14O2
Molecular mass chemrof:molecular_mass	118.176
Monoisotopic mass chemrof:monoisotopic_mass	118.09938
SMILES string chemrof:smiles_string	CCCCC(O)CO

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=6920-22-5	enrich_references.consensus_cas_link
chem.echa.europa.eu	https://chem.echa.europa.eu/100.027.299	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID40863959	enrich_references.pubchem_identifier_url
drugbank.ca	https://www.drugbank.ca/drugs/DB14108	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/TR046Y3K1G	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J101.042E	enrich_references.pubchem_identifier_url
metabolomicsworkbench.org	https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=154806	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/94335	enrich_references.pubchem_compound
rxnav.nlm.nih.gov	https://rxnav.nlm.nih.gov/id/rxnorm/1362584	enrich_references.pubchem_identifier_url
Wikidata	https://www.wikidata.org/wiki/Q27290177	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
51b4ef38-42a3-4e4f-876d-dac661d71971	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
b314cbb5-21a8-4a88-9cdf-5adb2bffcfae	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
d297c21e-d2f9-48cd-a62b-8ca4ee1f21f2	Environmental → Air → Indoor	EF 3.1	kg	2
08a91e70-3ddc-11dd-9158-0050c2490048	Environmental → Air → Long-term	EF 3.1	kg	0
178d432e-749e-49c2-a9a4-70b97912e6c6	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
10dbd875-1046-49a1-919b-3e962a3208d0	Environmental → Air → Unknown	EF 3.1	kg	2
8c99df4f-087c-40b0-9c9a-286f5ba3608e	Environmental → Ground → Agricultural	EF 3.1	kg	2
48f7709e-eb41-4de1-b05d-7108bfe93d2f	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
bcda70d8-9a14-458b-92c0-7195e3f33d26	Environmental → Ground → Unknown	EF 3.1	kg	2
1f31e7a0-6556-11dd-ad8b-0800200c9a66	Environmental → Water → Long-term	EF 3.1	kg	0
1c02a006-947b-463a-8c86-1ff5c6c8ebed	Environmental → Water → Ocean	EF 3.1	kg	2
11e950d2-cbbe-4524-9d70-4a25e3f8df16	Environmental → Water → Surface water	EF 3.1	kg	2
42c5248e-cf9c-4721-b62f-ce5da1ff84ed	Environmental → Water → Unknown	EF 3.1	kg	2
1f31c0b4-6556-11dd-ad8b-0800200c9a66 deprecated	Environmental → Air → Aircraft cruise height	EF 3.1	kg	0
08a91e70-3ddc-11dd-9159-0050c2490048 deprecated	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	0
c5063fc3-24fd-432d-aae8-6e9c6244f49b deprecated	Environmental → Air → Long-term	EF 3.1	kg	0
08a91e70-3ddc-11dd-915a-0050c2490048 deprecated	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	0
08a91e70-3ddc-11dd-9b5c-0050c2490048 deprecated	Environmental → Air → Unknown	EF 3.1	kg	0
1f31c0b2-6556-11dd-ad8b-0800200c9a66 deprecated	Environmental → Ground → Agricultural	EF 3.1	kg	0
1f31c0b5-6556-11dd-ad8b-0800200c9a66 deprecated	Environmental → Ground → Non-agricultural	EF 3.1	kg	0
1f31c0b7-6556-11dd-ad8b-0800200c9a66 deprecated	Environmental → Ground → Unknown	EF 3.1	kg	0
ee1cb8a8-d279-45af-9efc-8b003bcf2d91 deprecated	Environmental → Water → Long-term	EF 3.1	kg	0
1f31c0b6-6556-11dd-ad8b-0800200c9a66 deprecated	Environmental → Water → Ocean	EF 3.1	kg	0
1f31c0b3-6556-11dd-ad8b-0800200c9a66 deprecated	Environmental → Water → Surface water	EF 3.1	kg	0
1f31c0b8-6556-11dd-ad8b-0800200c9a66 deprecated	Environmental → Water → Unknown	EF 3.1	kg	0

Everything that changed this substance (103 changes)

Open the changes page

Flow object JSON

{
  "flow_object_id": "fo-e46ba8fc52bbe3d1",
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        "prov:wasGeneratedBy": "semantic_typing.classify",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
      }
    }
  },
  "classifications": {
    "http://semanticscience.org/resource/CHEMINF_000446": {
      "@value": [
        "6920-22-5"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=6920-22-5"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=6920-22-5"
        }
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
        "230-029-6"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=230-029-6"
      ],
      "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"
  ]
}

You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works

(rs)-1,2-dihydroxyhexane

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

Full record

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