Consensus flow list

3,4,5-trimethylphenyl Methylcarbamate

fo-0e4744006673eb3f

Identity

Type
NeutralMolecule
CAS
2686-99-9
EC
220-245-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for 3,4,5-trimethylphenyl Methylcarbamate

What it is used for

3

Roles, not types. A substance bears as many as apply — sulfluramid is an insecticide and an acaricide — and each is a class ChEBI curates, asserted with ChEBI’s own has role. The narrow ones publish the broad ones alongside them, so a substance filed as a herbicide is a pesticide here too. See agricultural chemicals for what the axis is and which classes are published.

Role Definition Evidence
agrochemical CHEBI:33286 An agrochemical is a substance that is used in agriculture or horticulture. ChEBI
insecticide CHEBI:24852 Strictly, a substance intended to kill members of the class Insecta. In common usage, any substance used for preventing, destroying, repelling or controlling insects. ChEBI
pesticide CHEBI:25944 Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests. ChEBI

Alternative labels

11

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string AUQAUAIUNJIIEP-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C11H15NO2/c1-7-5-10(14-11(13)12-4)6-8(2)9(7)3/h5-6H,1-4H3,(H,12,13)
IUPAC name chemrof:IUPAC_name 3,4,5-trimethylphenyl Methylcarbamate
Molecular formula chemrof:molecular_formula C11H15NO2
Molecular mass chemrof:molecular_mass 193.246
Monoisotopic mass chemrof:monoisotopic_mass 193.110279, 193.11028
SMILES string chemrof:smiles_string CNC(=O)Oc1cc(C)c(C)c(C)c1

Known URLs

9

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=2686-99-9 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:38894 enrich_references.chebi_id_link
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID1040322 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/JG6XSN0Z2I enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J7.646E enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=56061 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/17592 enrich_references.pubchem_compound
reaxys reaxys:2052372 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q27118023 enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
af6cec37-57e1-4532-aedf-b22e63c4e01c Environmental → Air → Aircraft cruise height EF 3.1 kg 2
d047ef63-abc8-4c68-83f1-7623ae672f1d Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
d6c2e180-5014-46fa-8f1d-cb223a00ca05 Environmental → Air → Indoor EF 3.1 kg 2
3365eba5-8521-4b97-90ab-136f2699789f Environmental → Air → Long-term EF 3.1 kg 0
fcc96db6-3403-4bd1-b1d3-fbb77eed5518 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
e01b55f4-4748-4451-8729-6414a66a3679 Environmental → Air → Unknown EF 3.1 kg 2
56c8c2b1-557d-4253-a2ee-dbc37347d3d6 Environmental → Ground → Agricultural EF 3.1 kg 2
37373450-c80f-4f55-a798-699c29ffd3cc Environmental → Ground → Non-agricultural EF 3.1 kg 2
88cb8d3e00a6f5127528652a704d6b376c7de9a9 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
94769ee4-2bb5-4625-a5c8-bcee298c5358 Environmental → Ground → Unknown EF 3.1 kg 2
1a0b5355-536a-4dbf-ac4a-1db53c6ccda7 Environmental → Water → Long-term EF 3.1 kg 0
81d21e4f-d6bb-45c1-82dc-a888da669f7b Environmental → Water → Ocean EF 3.1 kg 2
f28175c6-eda3-4d45-8ca6-67eeb74078d8 Environmental → Water → Surface water EF 3.1 kg 2
b918f92f-bf9d-454c-85b9-b9b28405d747 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (58 changes)

Open the changes page

Full record

Flow object JSON 
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}

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