Methyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate
fo-c0f48ce66abb36fa
Identity
- Type
- Neutral molecule
- CAS
- 6386-38-5
- EC
- 228-985-4
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 56 across every transformer
Structure
Alternative labels
20- 3,5-Bis(1,1-dimethylethyl)-4-hydroxybenzenepropanoic acid methyl ester
- 3-(3,5-Di(tert-butyl)-4-hydroxyphenyl)propanoic acid methyl ester
- 3-(3,5-Di-tert-butyl-4-hydroxyphenyl)propionic acid methyl ester
- Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, methyl ester
- Fenozan 1
- Hydrocinnamic acid, 3,5-di-tert-butyl-4-hydroxy-, methyl ester
- Methyl (3,5-di-tert-butyl-4-hydroxyphenyl)propionate
- Methyl 3,5-di-tert-butyl-4-hydroxy-β-phenylpropionate
- Methyl 3,5-di-tert-butyl-4-hydroxyhydrocinnamate
- Methyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate
- methyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
- Methyl 3-(3′,5′-di-tert-butyl-4′-hydroxyphenyl)propionate
- Methyl 3-(4-hydroxy-3,5-di-tert-butylphenyl)propionate
- Methyl β-(4-hydroxy-3,5-di-tert-butylphenyl)propanoate
- Methyl β-(4-hydroxy-3,5-di-tert-butylphenyl)propionate
- Methyl β-3,5-di-tert-butyl-4-hydroxyphenylpropionate
- Methylox
- Metilox
- Phenosan methyl ester
- Ralox 35
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | PXMJCECEFTYEKE-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C18H28O3/c1-17(2,3)13-10-12(8-9-15(19)21-7)11-14(16(13)20)18(4,5)6/h10-11,20H,8-9H2,1-7H3 |
| IUPAC name chemrof:IUPAC_name | Methyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate |
| Molecular formula chemrof:molecular_formula | C18H28O3 |
| Molecular mass chemrof:molecular_mass | 292.419 |
| Monoisotopic mass chemrof:monoisotopic_mass | 292.20384, 292.203845 |
| SMILES string chemrof:smiles_string | COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 |
Known URLs
9Where 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=6386-38-5 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:183289 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.026.351 | enrich_references.pubchem_identifier_url |
| ChemSpider | https://www.chemspider.com/Chemical-Structure.56362.html | enrich_references.chebi_xrefs |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID7027623 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/35RWF1ITXJ | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J62.859J | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/62603 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q27256486 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| a7b6b3b4-3319-43a9-b360-c70af6ebe488 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| 5cd44042-0206-451a-9bf3-5865e9700e83 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| 961722f3-de88-498d-8316-f19fab510979 | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| d39661a4-80dd-49ed-ac2c-a356b3342de7 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 6161ab8c-4c96-4c09-8bcf-ee6f580cdd45 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| fc91c96a-7ae9-4e7e-984a-cccc2f46ca03 | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| eb1f6682-5790-45c5-96a3-564d6d7bc18b | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| ecee5f36-4f03-4bbf-9d45-32d837f1241a | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| f0d451c5-9bce-4f5b-939b-4051d2e2de1c | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| ba9111b0-8ff3-4097-95dd-7181e59525ac | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| a32557e6-087d-4030-b9a5-e0dd38c8952f | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| 122785e0-f7f4-4424-b7e7-c5e093b0c038 | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| 8fb46d3e-9912-4dae-9917-ad58665d2e98 | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (56 changes)
Full record
Flow object JSON
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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