Methyl 4-methylbenzoate

4-(Methoxycarbonyl)toluene
4-Methylbenzoic acid methyl ester
Benzoic acid, 4-methyl-, methyl ester
Methyl 4-toluate
Methyl p-methylbenzoate
Methyl p-toluate
Methyl p-toluenecarboxylate
p-(Methoxycarbonyl)toluene
p-Carbomethoxytoluene
p-Toluic acid, methyl ester

Property	Value
InChI2D key string chemrof:inchi2d_key_string	QSSJZLPUHJDYKF-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C9H10O2/c1-7-3-5-8(6-4-7)9(10)11-2/h3-6H,1-2H3
IUPAC name chemrof:IUPAC_name	Methyl 4-methylbenzoate
Molecular formula chemrof:molecular_formula	C9H10O2
Molecular mass chemrof:molecular_mass	150.177
Monoisotopic mass chemrof:monoisotopic_mass	150.06808
SMILES string chemrof:smiles_string	COC(=O)c1ccc(C)cc1

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=99-75-2	enrich_references.consensus_cas_link
chem.echa.europa.eu	https://chem.echa.europa.eu/100.002.531	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID4025668	enrich_references.pubchem_identifier_url
dtp.cancer.gov	https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=24761	enrich_references.pubchem_identifier_url
ebi.ac.uk	https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1480173	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/964JP0ZZRG	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J45.106A	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/7455	enrich_references.pubchem_compound
Wikidata	https://www.wikidata.org/wiki/Q27271864	enrich_references.pubchem_identifier_url
Wikipedia	https://en.wikipedia.org/wiki/Methyl_p-toluate	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
26367d2c-790a-4acd-8654-9430c98641bc	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
f569c7ab-74aa-45c7-aeee-7b488724e359	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
fed6a280-f260-45be-95c3-421186b16d5e	Environmental → Air → Indoor	EF 3.1	kg	2
da68cff3-25f5-41ab-a181-d10831c487f9	Environmental → Air → Long-term	EF 3.1	kg	0
eb38fb37-b2f2-4f14-b06a-945e245d047b	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
a9e832b2-4f5f-4628-aaa9-31091891836d	Environmental → Air → Unknown	EF 3.1	kg	2
f1ee3be2-3cf6-4451-9078-4b287f91aacb	Environmental → Ground → Agricultural	EF 3.1	kg	2
3187e5fe-20b4-40d0-96f5-1414b22112ff	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
754dcca5-f3de-45c0-8ed1-fc1e90f224bc	Environmental → Ground → Unknown	EF 3.1	kg	2
7c179f7b-6453-43e8-83df-7c8c8664304e	Environmental → Water → Long-term	EF 3.1	kg	0
d3e2b85e-9ddf-4910-ba76-4d8aabbbc5bb	Environmental → Water → Ocean	EF 3.1	kg	2
f23d8b0b-ca88-4690-adfd-aab7bd3cb54b	Environmental → Water → Surface water	EF 3.1	kg	2
33a6691c-fa40-4b2c-9fde-5e3c6e6cefa0	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (55 changes)

Open the changes page

Flow object JSON

{
  "flow_object_id": "fo-166142de7b37fd58",
  "prefLabel": [
    {
      "@value": "Methyl 4-methylbenzoate",
      "@language": "en",
      "@lang": "en",
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      }
    }
  ],
  "altLabel": [
    {
      "@value": "4-(Methoxycarbonyl)toluene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-Methylbenzoic acid methyl ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzoic acid, 4-methyl-, methyl ester",
      "@language": "en",
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      "provenance": {
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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    },
    {
      "@value": "Methyl 4-toluate",
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    },
    {
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    },
    {
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}

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Methyl 4-methylbenzoate

Identity

Structure

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