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3-methoxy-3-methylbutyl Acetate

fo-822914f0867ef8d1

Identity

Type
Neutral molecule
CAS
103429-90-9
EC
700-408-5
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 3-methoxy-3-methylbutyl Acetate

Alternative labels

8

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string RYNQKSJRFHJZTK-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C8H16O3/c1-7(9)11-6-5-8(2,3)10-4/h5-6H2,1-4H3
IUPAC name chemrof:IUPAC_name 3-methoxy-3-methylbutyl Acetate
Molecular formula chemrof:molecular_formula C8H16O3
Molecular mass chemrof:molecular_mass 160.213
Monoisotopic mass chemrof:monoisotopic_mass 160.109944
SMILES string chemrof:smiles_string COC(C)(C)CCOC(C)=O

Known URLs

7

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=103429-90-9 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.148.874 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID30145852 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/QHL9392RSY enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J42.267C enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/62308 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q63399468 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
35444392-62ab-47e0-b039-b3641f5be9a8 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
30c20da4-e6ee-4d2e-bf7c-aba704e5ada6 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
7c09fdf7-31ae-4d30-aefb-7c9741482bc1 Environmental → Air → Indoor EF 3.1 kg 2
e3094eaf-de68-4d6c-aacd-2ddfcfd73bab Environmental → Air → Long-term EF 3.1 kg 0
2b68758e-c056-4469-9eb0-a005be0d1c7e Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
49ff9965-cf98-4ae9-878c-8873c21d3c7b Environmental → Air → Unknown EF 3.1 kg 2
d842459c-4726-462e-a09e-cf48fb4be7a2 Environmental → Ground → Agricultural EF 3.1 kg 2
24fe77f8-fe68-4497-a2d4-cc9d39798172 Environmental → Ground → Non-agricultural EF 3.1 kg 2
235f33a9-12b9-42df-9eea-7a1d18ff6726 Environmental → Ground → Unknown EF 3.1 kg 2
c17ee430-a16a-4240-ae06-c8ff45054c54 Environmental → Water → Long-term EF 3.1 kg 0
a90b99cd-59ca-4d59-aee2-641380dc8fc8 Environmental → Water → Ocean EF 3.1 kg 2
b5316445-3792-4e52-9987-bf7c1a7c8501 Environmental → Water → Surface water EF 3.1 kg 2
7eb8ce46-3208-4be7-b11c-fc3efadbbd3d 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-822914f0867ef8d1",
  "prefLabel": [
    {
      "@value": "3-methoxy-3-methylbutyl Acetate",
      "@language": "en",
      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1-Acetoxy-3-methoxy-3-methylbutane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1-Butanol, 3-methoxy-3-methyl-, 1-acetate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1-Butanol, 3-methoxy-3-methyl-, acetate",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3-Methoxy-3-methyl-1-butanol acetate",
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    },
    {
      "@value": "3-Methoxy-3-methyl-1-butyl acetate",
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    },
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    },
    {
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    },
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      "@value": "Solfit AC",
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}

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