Consensus flow list

Identity

Type
Neutral molecule
CAS
108-11-2
EC
203-551-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 4-methylpentan-2-ol

Alternative labels

15

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string WVYWICLMDOOCFB-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C6H14O/c1-5(2)4-6(3)7/h5-7H,4H2,1-3H3
IUPAC name chemrof:IUPAC_name 4-methylpentan-2-ol
Molecular formula chemrof:molecular_formula C6H14O
Molecular mass chemrof:molecular_mass 102.177
Monoisotopic mass chemrof:monoisotopic_mass 102.104465
SMILES string chemrof:smiles_string CC(C)CC(C)O

Known URLs

14

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=108-11-2 enrich_references.consensus_cas_link
cdc.gov https://www.cdc.gov/niosh-rtecs/SA7026F0.html enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.003.229 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0665 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID2026781 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=9384 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL448896 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/8U34XJK0R0 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0246515 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.414G enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/7910 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#2053 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q2528979 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/4-Methyl-2-pentanol enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
56e6a3ac-8f63-49ff-91da-dfaa7a132dd6 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
c36a59de-5219-4b04-8f88-f9c3a39aa7ee Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
3e89257e-509c-4e3a-90ba-10cb4eaff456 Environmental → Air → Indoor EF 3.1 kg 4
ab6e2c83-69ff-4d25-81c1-18c079ef9505 Environmental → Air → Long-term EF 3.1 kg 0
950d044e-d18f-4013-a116-734d00451550 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
c791f863-d313-4523-af2d-22df3818edb3 Environmental → Air → Unknown EF 3.1 kg 4
a15c7ff9-0982-43a2-826a-fe1c27b8bbb8 Environmental → Ground → Agricultural EF 3.1 kg 4
86c0088c-4067-4b5f-b87d-1a8df416ff20 Environmental → Ground → Non-agricultural EF 3.1 kg 4
66be69ee-de95-4f05-b28d-a2ffbfcbef9d Environmental → Ground → Unknown EF 3.1 kg 4
55c0d8a4-95a4-48e7-8b6a-57851614655d Environmental → Water → Long-term EF 3.1 kg 0
1e6f0530-fdd0-4f66-9b7a-6ea98004905e Environmental → Water → Ocean EF 3.1 kg 4
fc279678-a1fe-429e-8d32-08f3277a1f17 Environmental → Water → Surface water EF 3.1 kg 4
3929d9098f64525bc6dfacb03af5d0559ebf94de Environmental → Water → Unconfined aquifer ecoinvent algorithm addition kg 0
7f71f79b-7c8e-4212-b332-38f4f4aea904 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-95eaf3acd0b72103",
  "prefLabel": [
    {
      "@value": "4-methylpentan-2-ol",
      "@language": "en",
      "@lang": "en",
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        "prov:hadPrimarySource": [
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1,3-Dimethyl-1-butanol",
      "@language": "en",
      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1,3-Dimethylbutanol",
      "@language": "en",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1,3-Dimethylbutyl alcohol",
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      }
    },
    {
      "@value": "2-Methyl-4-pentanol",
      "@language": "en",
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      }
    },
    {
      "@value": "2-Pentanol, 4-methyl-",
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    },
    {
      "@value": "3-MIC",
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    },
    {
      "@value": "4-Methyl-2-amyl alcohol",
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    },
    {
      "@value": "4-Methyl-2-pentyl alcohol",
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    },
    {
      "@value": "dl-Methylisobutylcarbinol",
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    },
    {
      "@value": "Isobutylmethylcarbinol",
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    },
    {
      "@value": "Isobutylmethylmethanol",
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    {
      "@value": "MAOH",
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    {
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    {
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    {
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    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
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      "@value": [
        "WVYWICLMDOOCFB-UHFFFAOYSA-N"
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