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2-methyl-1-phenylpropan-1-one

fo-364ec265328a8192

Identity

Type
Neutral molecule
CAS
611-70-1
EC
210-275-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 2-methyl-1-phenylpropan-1-one

Alternative labels

9

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string BSMGLVDZZMBWQB-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C10H12O/c1-8(2)10(11)9-6-4-3-5-7-9/h3-8H,1-2H3
IUPAC name chemrof:IUPAC_name 2-methyl-1-phenylpropan-1-one
Molecular formula chemrof:molecular_formula C10H12O
Molecular mass chemrof:molecular_mass 148.205
Monoisotopic mass chemrof:monoisotopic_mass 148.088815
SMILES string chemrof:smiles_string CC(C)C(=O)c1ccccc1

Known URLs

10

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=611-70-1 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.009.342 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID6048202 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=6552 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3187314 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/8L53972NTZ enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J47.812A enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=130672 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/69144 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q27270703 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
2429b8aa-52df-4517-9713-a8f384f6d638 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
087f6795-72fc-4325-ac5a-d36cb9d739c5 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
b7e58e47-cfd5-477d-bbc6-96536de9f530 Environmental → Air → Indoor EF 3.1 kg 2
ebd654ff-118b-413c-9fd8-3f78c5d58b8c Environmental → Air → Long-term EF 3.1 kg 0
6db941aa-87bd-45c7-8c95-a45d0f869088 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
621337e8-98de-4815-ba57-ab8c1dfd8f9c Environmental → Air → Unknown EF 3.1 kg 2
dd9c58d3-cbf8-49de-9c19-7844632fe8bb Environmental → Ground → Agricultural EF 3.1 kg 2
5c1e0d2e-25b3-4d6f-9d85-110b347efc05 Environmental → Ground → Non-agricultural EF 3.1 kg 2
e01d5b6c-568c-4c8c-a9d9-5b5df96fbab1 Environmental → Ground → Unknown EF 3.1 kg 2
ae38c495-0513-45d3-8f5e-b5849a843e5e Environmental → Water → Long-term EF 3.1 kg 0
576f46c2-1952-421b-9c8c-4f7884d13380 Environmental → Water → Ocean EF 3.1 kg 2
0066ba5f-847f-4fe4-a170-8d4b8b41f80e Environmental → Water → Surface water EF 3.1 kg 2
638e5ec8-46fc-4ec8-a66f-3fb58d92fa2b Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-364ec265328a8192",
  "prefLabel": [
    {
      "@value": "2-methyl-1-phenylpropan-1-one",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1-Phenyl-2-methyl-1-propanone",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1-Propanone, 2-methyl-1-phenyl-",
      "@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=611-70-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Methyl-1-phenyl-1-propanone",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Methyl-1-phenylpropanone",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Methylpropiophenone",
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    },
    {
      "@value": "Isobutyrophenone",
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      }
    },
    {
      "@value": "Isopropyl phenyl ketone",
      "@language": "en",
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      "provenance": {
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    },
    {
      "@value": "Phenyl isopropyl ketone",
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      }
    },
    {
      "@value": "α-Methylpropiophenone",
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}

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