3,5-bis(tert-butyl)phenol Methylcarbamate
fo-46a22e340a59e9f8
Identity
- Type
- Neutral molecule
- CAS
- 2655-19-8
- EC
- —
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 55 across every transformer
Structure
Alternative labels
8- (3,5-Ditert-butylphenyl) N-methylcarbamate
- 3,5-Bis(1,1-dimethylethyl)phenol methylcarbamate
- 3,5-Di-tert-butylphenyl methylcarbamate
- 3,5-Di-tert-butylphenyl N-methylcarbamate
- Butacarb
- Carbamic acid, methyl-, 3,5-di-tert-butylphenyl ester
- Phenol, 3,5-bis(1,1-dimethylethyl)-, 1-(N-methylcarbamate)
- Phenol, 3,5-bis(1,1-dimethylethyl)-, methylcarbamate
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | SLZWBCGZQRRUNG-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C16H25NO2/c1-15(2,3)11-8-12(16(4,5)6)10-13(9-11)19-14(18)17-7/h8-10H,1-7H3,(H,17,18) |
| IUPAC name chemrof:IUPAC_name | 3,5-bis(tert-butyl)phenol Methylcarbamate |
| Molecular formula chemrof:molecular_formula | C16H25NO2 |
| Molecular mass chemrof:molecular_mass | 263.381 |
| Monoisotopic mass chemrof:monoisotopic_mass | 263.188529, 263.18853 |
| SMILES string chemrof:smiles_string | CNC(=O)Oc1cc(C(C)(C)C)cc(C(C)(C)C)c1 |
Known URLs
10Where 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=2655-19-8 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:82089 | enrich_references.chebi_id_link |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID0041690 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/48SLE5Y118 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J7.642B | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C18949 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C18949 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/17564 | enrich_references.pubchem_compound |
| vsdb | vsdb:1588 | enrich_references.chebi_xrefs |
| Wikidata | https://www.wikidata.org/wiki/Q27155741 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 6ba705dc-6860-4374-9888-0fb8856abc4d | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| 8d5c14d1-4b67-4946-afe3-517b244ddc86 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| c0a2f6ea-6177-4e00-b494-a698cc1889e0 | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| 511e383b-d6a1-49b1-ab9b-d6e316e26675 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 05a324dc-41fb-4b44-9157-0ee0ffd7e26d | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| 51f4d179-9fb5-4f40-bc7d-eeadb173af86 | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| b60f9b79-2594-4ec1-b5a8-5be4692e6d01 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| d9baaaa7-2288-4532-80b0-b6f918e819b6 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| 6b04c12a-988e-4717-92b2-bdd0b05e193e | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| cbca6194-d906-4da7-923c-710afa056e6b | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 68d6e5d4-48be-4a75-810d-7208b7dbd7c4 | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| 5a1c6a1c-67a1-437a-9744-1cb56fa48ef3 | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| 2e6e2fa7-eeed-4e00-a57d-3e44e962872d | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (55 changes)
Full record
Flow object JSON
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"parent_flow_object_id": null,
"parent_intervention_id": null,
"@type": [
"https://w3id.org/chemrof/NeutralMolecule"
]
}Something wrong here?
- This substance is published under the wrong name
- This is not that chemical
- This record is two substances, or it is a second copy of one
You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works