Bis(2-propylheptyl) Phthalate
fo-6ef708ad047b1c25
Identity
- Type
- Neutral molecule
- CAS
- 53306-54-0
- EC
- 258-469-4
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 55 across every transformer
Structure
Alternative labels
7- 1,2-Benzenedicarboxylic acid, 1,2-bis(2-propylheptyl) ester
- 1,2-Benzenedicarboxylic acid, bis(2-propylheptyl) ester
- Di-2-propylheptyl phthalate
- Dipropylheptyl phthalate
- Hexamoll DPHP
- Palatinol 10P
- Phthalic acid, bis(2-propylheptyl) ester
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | MTYUOIVEVPTXFX-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C28H46O4/c1-5-9-11-17-23(15-7-3)21-31-27(29)25-19-13-14-20-26(25)28(30)32-22-24(16-8-4)18-12-10-6-2/h13-14,19-20,23-24H,5-12,15-18,21-22H2,1-4H3 |
| IUPAC name chemrof:IUPAC_name | Bis(2-propylheptyl) Phthalate |
| Molecular formula chemrof:molecular_formula | C28H46O4 |
| Molecular mass chemrof:molecular_mass | 446.672 |
| Monoisotopic mass chemrof:monoisotopic_mass | 446.33961 |
| SMILES string chemrof:smiles_string | CCCCCC(CCC)COC(=O)c1ccccc1C(=O)OCC(CCC)CCCCC |
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=53306-54-0 | enrich_references.consensus_cas_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.053.137 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID5052173 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=17071 | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0249248 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J295.926G | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=156000 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/92344 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q25099943 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| b2de5efa-7312-495d-8f03-775bcf57a83b | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 947680ae-c9fc-43ec-8729-9dee6c698fa4 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| ca8ae8ad-a3b6-41b7-a1b5-2ebf4e5815ad | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 76f3d368-bd3c-4742-abfc-e38ccf8d2e7a | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 4fba6f4d-7947-46f7-bfd4-b4b0d74a57e7 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 37ca94f4-a0e8-42b6-8343-c5311c4550e9 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 84ffad28-eaaa-4b54-aea7-88895c408062 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| e7685e26-95e1-445e-bd9f-dd9eebdce1e4 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 940292b9-4da3-4139-afca-e71f26303feb | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| 027c6a5d-ed8c-45a4-9f02-2f6a3e3a38a0 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 26b30f00-5fb3-423a-b67d-03e0d2a008cd | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 1a42a673-efb7-4b12-9632-b04266d85db6 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 500e9765-da41-43de-bfb5-31577dbf667b | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
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