3-methylbutyl 3-(4-methoxyphenyl)acrylate
fo-458ddb5051168d4d
Identity
- Type
- Neutral molecule
- CAS
- 71617-10-2
- EC
- 275-702-5
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 55 across every transformer
Structure
Alternative labels
12- 2-Propenoic acid, 3-(4-methoxyphenyl)-, 3-methylbutyl ester
- 3-Methylbutyl 3-(4-methoxyphenyl)prop-2-enoate
- 4-Methoxycinnamic acid 2-isoamyl ester
- 4-Methoxycinnamic acid isoamyl ester
- 4-Methoxycinnamic acid isopentyl ester
- Amiloxate
- Isoamyl 4-methoxycinnamate
- isoamyl methoxycinnamate
- Isoamyl p-methoxycinnamate
- Isopentyl 4-methoxycinnamate
- Isopentyl p-methoxycinnamate
- Neo Heliopan E 1000
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | UBNYRXMKIIGMKK-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C15H20O3/c1-12(2)10-11-18-15(16)9-6-13-4-7-14(17-3)8-5-13/h4-9,12H,10-11H2,1-3H3 |
| IUPAC name chemrof:IUPAC_name | 3-methylbutyl 3-(4-methoxyphenyl)acrylate |
| Molecular formula chemrof:molecular_formula | C15H20O3 |
| Molecular mass chemrof:molecular_mass | 248.322 |
| Monoisotopic mass chemrof:monoisotopic_mass | 248.14124, 248.141244 |
| SMILES string chemrof:smiles_string | COc1ccc(C=CC(=O)OCCC(C)C)cc1 |
Known URLs
3Where 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=71617-10-2 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:135982 | enrich_references.chebi_id_link |
| drugcentral | drugcentral:4500 | enrich_references.chebi_xrefs |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| b7401d02-c50c-4baa-9eb2-09f2976633da | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| 32a18c7b-9d12-4aae-b398-349b5380c45f | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| 03b30257-d790-4656-ab6b-a7379ce1454f | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| 50a48558-ec07-4c9f-ae80-94e09ac30ebb | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 177757ad-b22c-49df-8b40-2946a269470d | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| 8a38fd13-8f7d-42fb-b655-ac10b4e70a7d | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| c0ec2d49-8e65-4ae6-896c-cb52f4352146 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| 864fce95-1997-498d-9195-c588503d96a2 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| 5090a92a-614e-43b9-b0a7-e059ff88d2ba | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| 5728a598-e3bf-41d5-a1d9-4e2b953f46d8 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 4c0181c6-fe00-416d-bc07-36f7477a9d3b | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| fdec29ef-21ab-48b2-abe2-c25f79f2042a | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| 91c805da-2a50-4313-83fb-ca9460b9ed12 | 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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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