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Hexylene Glycol

UUID 19fc455b-d5fe-4fc1-838c-4b6877023a55
Flow Object IDfo-5ff05efb236c1121
Source EF 3.1
Context Environmental → Water → Surface water
CAS Numbers 107-41-5
EC Numbers 203-489-0
prefLabel
Language Value Provenance
en Hexylene Glycol
altLabel ⓘ
Language Value Provenance
en 1,1,3-Trimethyltrimethylenediol
en 1,1,3-trimethyl-1,3-propanediol
en 1,3,3-trimethyl-1,3-propanediol
en 1,3-dimethyl-3-hydroxybutanol
en 2,4-Dihydroxy-2-methylpentane
en 2-Methyl pentane-2,4-diol
en 2-Methyl-2,4-pentandiol
en 2-Methyl-2,4-pentanediol
en 4-Methyl-2,4-pentanediol
en MPD
en alpha,alpha,alpha'-trimethyltrimethylene glycol
en (±)-2-Methyl-2,4-pentanediol
en 2,4-Pentanediol, 2-methyl-
en Diolane
en Hexalene glycol
en Hexasol
en Isohexanediol
en Isol
en NSC 8098
en α,α,α′-Trimethyltrimethylene glycol
en 2-methylpentane-2,4-diol
Definitions
Language Value Provenance
en A glycol in which the two hydroxy groups are at positions 2 and 4 of 2-methylpentane (isopentane).
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey SVTBMSDMJJWYQN-UHFFFAOYSA-N
InChI InChI=1S/C6H14O2/c1-5(7)4-6(2,3)8/h5,7-8H,4H2,1-3H3
IUPAC name 2-methylpentane-2,4-diol
Molecular formula C6H14O2
Molecular mass 118.176
Monoisotopic mass 118.09938
SMILES CC(CC(C)(C)O)O, CC(O)CC(C)(C)O

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 19fc455b-d5fe-4fc1-838c-4b6877023a55 2-methylpentane-2,4-diol

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 2-methylpentane-2,4-diol Emissions/Emissions to water/Emissions to fresh water kg exactMatch —

Consolidated Field Provenance

0 total PROV activity record(s) for this flow.

Field Change Count Latest Time Transformers Latest Comment
altLabel 1 — consensus_match group_key=2-methylpentane-2,4-diol||dimension=Environmental > media=Water > water_body=Surface water; cas=107-41-5; added Common Chemistry CAS names as altLabel: (±)-2-Methyl-2,4-pentanediol, 2,4-Pentanediol, 2-methyl-, Diolane, Hexalene glycol, Hexasol, Isohexanediol, Isol, NSC 8098, α,α,α′-Trimethyltrimethylene glycol; object_uuid=fo-5ff05efb236c1121
cas_match_labels 1 — consensus_match group_key=2-methylpentane-2,4-diol||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'107-41-5': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-5ff05efb236c1121: {'107-41-5': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodySurface water

Consensus Changes

Field Old Value New Value Comment
altLabel [{'@value': '1,1,3-Trimethyltrimethylenediol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:1,1,3-Trimethyltrimethylenediol', 'http://purl.obolibrary.org/obo/CHEBI_62995', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '1,1,3-trimethyl-1,3-propanediol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:1,1,3-trimethyl-1,3-propanediol', 'http://purl.obolibrary.org/obo/CHEBI_62995', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '1,3,3-trimethyl-1,3-propanediol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:1,3,3-trimethyl-1,3-propanediol', 'http://purl.obolibrary.org/obo/CHEBI_62995', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '1,3-dimethyl-3-hydroxybutanol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:1,3-dimethyl-3-hydroxybutanol', 'http://purl.obolibrary.org/obo/CHEBI_62995', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2,4-Dihydroxy-2-methylpentane', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2,4-Dihydroxy-2-methylpentane', 'http://purl.obolibrary.org/obo/CHEBI_62995', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2-Methyl pentane-2,4-diol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2-Methyl pentane-2,4-diol', 'http://purl.obolibrary.org/obo/CHEBI_62995', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2-Methyl-2,4-pentandiol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2-Methyl-2,4-pentandiol', 'http://purl.obolibrary.org/obo/CHEBI_62995', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2-Methyl-2,4-pentanediol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2-Methyl-2,4-pentanediol', 'http://purl.obolibrary.org/obo/CHEBI_62995', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '4-Methyl-2,4-pentanediol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:4-Methyl-2,4-pentanediol', 'http://purl.obolibrary.org/obo/CHEBI_62995', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Hexylene glycol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Hexylene glycol', 'http://purl.obolibrary.org/obo/CHEBI_62995', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'MPD', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:MPD', 'http://purl.obolibrary.org/obo/CHEBI_62995', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': "alpha,alpha,alpha'-trimethyltrimethylene glycol", '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ["label:alpha,alpha,alpha'-trimethyltrimethylene glycol", 'http://purl.obolibrary.org/obo/CHEBI_62995', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}] [{'@value': '1,1,3-Trimethyltrimethylenediol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:1,1,3-Trimethyltrimethylenediol', 'http://purl.obolibrary.org/obo/CHEBI_62995', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '1,1,3-trimethyl-1,3-propanediol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:1,1,3-trimethyl-1,3-propanediol', 'http://purl.obolibrary.org/obo/CHEBI_62995', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '1,3,3-trimethyl-1,3-propanediol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:1,3,3-trimethyl-1,3-propanediol', 'http://purl.obolibrary.org/obo/CHEBI_62995', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '1,3-dimethyl-3-hydroxybutanol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:1,3-dimethyl-3-hydroxybutanol', 'http://purl.obolibrary.org/obo/CHEBI_62995', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2,4-Dihydroxy-2-methylpentane', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2,4-Dihydroxy-2-methylpentane', 'http://purl.obolibrary.org/obo/CHEBI_62995', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2-Methyl pentane-2,4-diol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2-Methyl pentane-2,4-diol', 'http://purl.obolibrary.org/obo/CHEBI_62995', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2-Methyl-2,4-pentandiol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2-Methyl-2,4-pentandiol', 'http://purl.obolibrary.org/obo/CHEBI_62995', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2-Methyl-2,4-pentanediol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2-Methyl-2,4-pentanediol', 'http://purl.obolibrary.org/obo/CHEBI_62995', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '4-Methyl-2,4-pentanediol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:4-Methyl-2,4-pentanediol', 'http://purl.obolibrary.org/obo/CHEBI_62995', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Hexylene glycol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Hexylene glycol', 'http://purl.obolibrary.org/obo/CHEBI_62995', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'MPD', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:MPD', 'http://purl.obolibrary.org/obo/CHEBI_62995', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': "alpha,alpha,alpha'-trimethyltrimethylene glycol", '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ["label:alpha,alpha,alpha'-trimethyltrimethylene glycol", 'http://purl.obolibrary.org/obo/CHEBI_62995', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '(±)-2-Methyl-2,4-pentanediol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:107-41-5', 'https://commonchemistry.cas.org/detail?cas_rn=107-41-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2,4-Pentanediol, 2-methyl-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:107-41-5', 'https://commonchemistry.cas.org/detail?cas_rn=107-41-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Diolane', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:107-41-5', 'https://commonchemistry.cas.org/detail?cas_rn=107-41-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Hexalene glycol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:107-41-5', 'https://commonchemistry.cas.org/detail?cas_rn=107-41-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Hexasol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:107-41-5', 'https://commonchemistry.cas.org/detail?cas_rn=107-41-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Isohexanediol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:107-41-5', 'https://commonchemistry.cas.org/detail?cas_rn=107-41-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Isol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:107-41-5', 'https://commonchemistry.cas.org/detail?cas_rn=107-41-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 8098', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:107-41-5', 'https://commonchemistry.cas.org/detail?cas_rn=107-41-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'α,α,α′-Trimethyltrimethylene glycol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:107-41-5', 'https://commonchemistry.cas.org/detail?cas_rn=107-41-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=2-methylpentane-2,4-diol||dimension=Environmental > media=Water > water_body=Surface water; cas=107-41-5; added Common Chemistry CAS names as altLabel: (±)-2-Methyl-2,4-pentanediol, 2,4-Pentanediol, 2-methyl-, Diolane, Hexalene glycol, Hexasol, Isohexanediol, Isol, NSC 8098, α,α,α′-Trimethyltrimethylene glycol; object_uuid=fo-5ff05efb236c1121
cas_match_labels None {'107-41-5': 'exactMatch'} group_key=2-methylpentane-2,4-diol||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'107-41-5': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-5ff05efb236c1121: {'107-41-5': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
  "uuid": "19fc455b-d5fe-4fc1-838c-4b6877023a55",
  "name": null,
  "cas_numbers": [
    "107-41-5"
  ],
  "ec_numbers": [
    "203-489-0"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Water",
    "water_body": "Surface water"
  },
  "general_comment": null,
  "synonyms": [],
  "unit": "kg",
  "lcia_methods": [
    {
      "method_uuid": "05316e7a-b254-4bea-9cf0-6bf33eb5c630",
      "name": "Ecotoxicity, freshwater",
      "methodology": "Environmental Footprint",
      "impact_category": "Aquatic eco-toxicity",
      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
      "characterization_factor": 6.3179
    },
    {
      "method_uuid": "7cfdcfcf-b222-4b26-888a-a55f9fbf7ac8",
      "name": "Human toxicity, non-cancer",
      "methodology": "Environmental Footprint",
      "impact_category": "Non-cancer human health effects",
      "impact_indicator": "Comparative Toxic Unit for human (CTUh)",
      "characterization_factor": 1.0928e-6
    },
    {
      "method_uuid": "8c3141e9-1f15-43b5-bff2-182e49893a46",
      "name": "Human toxicity, non-cancer_organics",
      "methodology": "Environmental Footprint",
      "impact_category": "Non-cancer human health effects",
      "impact_indicator": "Comparative Toxic Unit for human (CTUh)",
      "characterization_factor": 1.0928e-6
    },
    {
      "method_uuid": "fd530f00-9325-424a-92ef-aaac67922fd9",
      "name": "Ecotoxicity, freshwater_organics",
      "methodology": "Environmental Footprint",
      "impact_category": "Aquatic eco-toxicity",
      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
      "characterization_factor": 6.3179
    }
  ],
  "source": "EF 3.1",
  "identifier": "19fc455b-d5fe-4fc1-838c-4b6877023a55",
  "input_datasets": [
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  "source_refs": [
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      "source_flow_uuid": "19fc455b-d5fe-4fc1-838c-4b6877023a55",
      "source_flow_name": "2-methylpentane-2,4-diol",
      "source_metadata": {
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        "input_dataset": "EF 3.1",
        "original_context": [
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          "Emissions to water",
          "Emissions to fresh water"
        ]
      }
    }
  ],
  "prefLabel": [
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      "source": {
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  "_sources": {
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  "properties": {
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    "https://w3id.org/chemrof/smiles_string": {
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      "@value": [
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      "rdfs:label": "InChI",
      "provenance": [
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    "https://w3id.org/chemrof/inchi2d_key_string": {
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      "rdfs:label": "InChIKey",
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    },
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      "rdfs:label": "Molecular mass",
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        "prov:wasDerivedFrom": "chebi.basic_property_values.mass"
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    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
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      ],
      "rdfs:label": "Monoisotopic mass",
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