Butyl phthalyl butyl glycolate
fo-f25e45fc5bd21a5e
Identity
- Type
- Neutral molecule
- CAS
- 85-70-1
- EC
- 201-624-8
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 59 across every transformer
Structure
Alternative labels
15- 1,2-Benzenedicarboxylic acid, 1-(2-butoxy-2-oxoethyl) 2-butyl ester
- 1,2-Benzenedicarboxylic acid, 2-butoxy-2-oxoethyl butyl ester
- 2-Butoxy-2-oxoethyl butyl phthalate
- 2-O-(2-butoxy-2-oxoethyl) 1-O-butyl benzene-1,2-dicarboxylate
- Butoxycarbonylmethyl butyl phthalate
- Butyl 2-butoxy-2-exoethyl phthalate
- Butyl carbobutoxymethyl phthalate
- Butyl glycolyl butyl phthalate
- Butyl phthalate butyl glycolate
- Butylphthalyl Butylglycolate
- Dibutyl o-carboxybenzoyloxyacetate
- Glycolic acid, butyl ester, butyl phthalate
- Phthalic acid, butyl ester, ester with butyl glycolate
- Reomol 4PG
- Santicizer B 16
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | GOJCZVPJCKEBQV-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C18H24O6/c1-3-5-11-22-16(19)13-24-18(21)15-10-8-7-9-14(15)17(20)23-12-6-4-2/h7-10H,3-6,11-13H2,1-2H3 |
| IUPAC name chemrof:IUPAC_name | 2-O-(2-butoxy-2-oxoethyl) 1-O-butyl benzene-1,2-dicarboxylate |
| Molecular formula chemrof:molecular_formula | C18H24O6 |
| Molecular mass chemrof:molecular_mass | 336.384 |
| Monoisotopic mass chemrof:monoisotopic_mass | 336.157288, 336.15729 |
| SMILES string chemrof:smiles_string | CCCCOC(=O)COC(=O)c1ccccc1C(=O)OCCCC |
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=85-70-1 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:191079 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.001.477 | enrich_references.pubchem_identifier_url |
| ChemSpider | https://www.chemspider.com/Chemical-Structure.6560.html | enrich_references.chebi_xrefs |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID7023938 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3182027 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/I5LOD5H050 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J4.378H | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/6819 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q27280474 | enrich_references.pubchem_identifier_url |
Elementary flows
14| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| e2fb2bd3-6555-11dd-ad8b-0800200c9a66 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 08a91e70-3ddc-11dd-9d7a-0050c2490048 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| eb191e6e-3e1b-46b5-af8a-817812006920 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 08a91e70-3ddc-11dd-9d79-0050c2490048 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 08a91e70-3ddc-11dd-a004-0050c2490048 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 08a91e70-3ddc-11dd-9d78-0050c2490048 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 08a91e70-3ddc-11dd-a015-0050c2490048 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 4d9a8790-3ddd-11dd-903a-0050c2490048 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 08a91e70-3ddc-11dd-9d77-0050c2490048 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| 08a91e70-3ddc-11dd-a006-0050c2490048 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 4d9a8790-3ddd-11dd-903b-0050c2490048 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 08a91e70-3ddc-11dd-a005-0050c2490048 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| c7368ec5e294019feadf67cc54f2730ec796be2b | Environmental → Water → Unconfined aquifer | stepwise algorithm addition | kg | 0 |
| 08a91e70-3ddc-11dd-a007-0050c2490048 | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (59 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