Consensus flow list

Identity

Type
Neutral molecule
CAS
67845-93-6
EC
267-342-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 3,5-di-(t-butyl)-4-hydroxy Benzoic Acid, Hexadecyl Ester

Alternative labels

11

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string NZYMWGXNIUZYRC-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C31H54O3/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-34-29(33)25-23-26(30(2,3)4)28(32)27(24-25)31(5,6)7/h23-24,32H,8-22H2,1-7H3
IUPAC name chemrof:IUPAC_name 3,5-Bis(1,1-dimethylethyl)-4-hydroxybenzoic acid hexadecyl ester
Molecular formula chemrof:molecular_formula C31H54O3
Molecular mass chemrof:molecular_mass 474.77
Monoisotopic mass chemrof:monoisotopic_mass 474.407296
SMILES string chemrof:smiles_string CCCCCCCCCCCCCCCCOC(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

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=67845-93-6 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.061.201 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID0052382 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/S43L542RUG enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J287.503I enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/94623 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27288558 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
f90e29cb-367d-4686-8489-ec8e892c328d Environmental → Air → Aircraft cruise height EF 3.1 kg 2
d84d53be-90ea-48de-94be-cb1226df6853 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
9f291988-696f-47d1-ba0a-c072332f43b1 Environmental → Air → Indoor EF 3.1 kg 2
882df03f-cd77-4447-9e15-0217fa07a330 Environmental → Air → Long-term EF 3.1 kg 0
8be22cdc-793f-4fdd-9113-830332dc6743 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
e12df970-0884-4c93-9ba4-e252723cc997 Environmental → Air → Unknown EF 3.1 kg 2
8d5f5646-2da1-49a3-b135-adbc098d43e0 Environmental → Ground → Agricultural EF 3.1 kg 2
e6c72374-79a8-4a11-9c98-8074d73afe75 Environmental → Ground → Non-agricultural EF 3.1 kg 2
d6c7f125-6b27-4416-95a4-b49f69c6a508 Environmental → Ground → Unknown EF 3.1 kg 2
34f3a119-b5e5-448d-a7cd-83db5b875c7b Environmental → Water → Long-term EF 3.1 kg 0
1ef1ff3a-2e44-40aa-9542-20b801dc48d7 Environmental → Water → Ocean EF 3.1 kg 2
83f64278-0d4b-4579-ad5c-6fc8c9ca488a Environmental → Water → Surface water EF 3.1 kg 2
12515532-2f93-4e8a-9e7f-766f2c7062b9 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-3fb6f3a124e0defc",
  "prefLabel": [
    {
      "@value": "3,5-di-(t-butyl)-4-hydroxy Benzoic Acid, Hexadecyl Ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "3,5-Bis(1,1-dimethylethyl)-4-hydroxybenzoic acid hexadecyl ester",
      "@language": "en",
      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3,5-Di-tert-butyl-4-hydroxybenzoic acid hexadecyl ester",
      "@language": "en",
      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, hexadecyl ester",
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        ],
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      }
    },
    {
      "@value": "Cyagard UV 2908",
      "@language": "en",
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    },
    {
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    },
    {
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      }
    },
    {
      "@value": "Hexadecyl 4-hydroxy-3,5-di(tert-butyl)benzoate",
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    },
    {
      "@value": "Palmityl 3,5-di-tert-butyl-4-hydroxybenzoate",
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    },
    {
      "@value": "Sabostab UV 37",
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}

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