Consensus flow list

Identity

Type
NeutralMolecule
CAS
770-35-4
EC
212-222-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 1-phenoxypropan-2-ol

Alternative labels

9

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string IBLKWZIFZMJLFL-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C9H12O2/c1-8(10)7-11-9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3
IUPAC name chemrof:IUPAC_name 1-phenoxypropan-2-ol
Molecular formula chemrof:molecular_formula C9H12O2
Molecular mass chemrof:molecular_mass 152.193
Monoisotopic mass chemrof:monoisotopic_mass 152.08373
SMILES string chemrof:smiles_string CC(O)COc1ccccc1

Known URLs

11

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=41593-38-8 enrich_references.pubchem_identifier_url
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=770-35-4 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.011.111 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID9027312 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=24015 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1327532 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/87CZY0NY1A enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J47.817B enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/92839 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=017824 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q20054546 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
efbb4931-ee6e-440d-9910-d007c9232d01 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
a7e2a2bd-0789-4cbd-b0c9-df5433c33a20 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
e56a9c8c-6533-4128-aacd-05ede6c198f9 Environmental → Air → Indoor EF 3.1 kg 4
135ba996-eaf5-454f-b298-da539df8982f Environmental → Air → Long-term EF 3.1 kg 0
8f98cdef-f842-42de-9698-015a1cd4b673 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
3e043199-4819-4a1a-90d7-23c9d70d8799 Environmental → Air → Unknown EF 3.1 kg 4
ab02b25c-4f8b-48bc-bf0b-22912a6a3e42 Environmental → Ground → Agricultural EF 3.1 kg 4
bb133401-fb3d-461b-b60d-0f75d6d5b69a Environmental → Ground → Non-agricultural EF 3.1 kg 4
e11ecc8c-b79a-4c99-bff2-eaf49e1d010a Environmental → Ground → Unknown EF 3.1 kg 4
4630f900-4527-4a5b-9525-58f1ca79e49b Environmental → Water → Long-term EF 3.1 kg 0
33fd4901-9666-44c5-a33d-ff473daf4133 Environmental → Water → Ocean EF 3.1 kg 4
d739760c-ef5e-4459-8325-1b3a8f1c28f5 Environmental → Water → Surface water EF 3.1 kg 4
8c31de74-708e-43ed-b893-e1fb5f5c04a2 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-f05c5bcfa32f81c5",
  "prefLabel": [
    {
      "@value": "1-phenoxypropan-2-ol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "(±)-1-Phenoxy-2-propanol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:770-35-4",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=770-35-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1-Phenoxy-2-propanol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:770-35-4",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=770-35-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Hydroxypropyl phenyl ether",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:770-35-4",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=770-35-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Phenoxy-1-methylethanol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=770-35-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Propanol, 1-phenoxy-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=770-35-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Phenoxyisopropanol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "https://commonchemistry.cas.org/detail?cas_rn=770-35-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Propylene phenoxetol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "https://commonchemistry.cas.org/detail?cas_rn=770-35-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "rac-1-Phenoxy-2-propanol",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "β-Phenoxyisopropanol",
      "@language": "en",
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      "provenance": {
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          "prov:hadPrimarySource": [
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    },
    "https://w3id.org/chemrof/smiles_string": {
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      "attested_by": {
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    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
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  },
  "references": [
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  "@type": [
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}

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