Octoxynol
fo-3caf13ecd7a1170e
Identity
- Type
- Neutral molecule
- CAS
- 9002-93-1
- EC
- 618-344-0
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 55 across every transformer
Structure
Alternative labels
69- (p-t-Octylphenoxy)polyethoxyethanol
- 4-(1,1,3,3-Tetramethylbutyl)phenyl hydroxypoly(oxyethylene)
- 4-tert-Octylphenyl peg ether
- Anapoe X 100
- Anapoe X 114
- Antarox A 200
- Coulter Dispersant IA
- Criton X 100
- Glycols, polyethylene, mono[p-(1,1,3,3-tetramethylbutyl)phenyl] ether
- Hydrol SW
- Iconol OP
- Koromex II
- Lutensol OP 10
- Nonidel P 40
- octoxinol
- Octoxinol 9
- octoxinolum
- Octoxynol 5
- Octoxynol 9
- Ortho-Gynol
- p-tert-Octylphenoxy polyethoxyethanol
- p-tert-Octylphenoxypolyoxyethanol
- Peg (p-(1,1,3,3-tetramethylbutyl)phenyl) ether
- Peg 4-isooctylphenyl ether
- Peg 4-tert-octylphenyl ether
- Phenol, p-(1,1,3,3-tetramethylbutyl)-, monoether with polyethylene glycol
- Photo-Flow 200
- Poly(oxy-1,2-ethanediyl), α-[4-(1,1,3,3-tetramethylbutyl)phenyl]-ω-hydroxy-
- Poly(oxyethylene) p-tert-octylphenyl ether
- Poly(oxyethylene)-p-tert-octylphenyl ether
- Polyethylene glycol mono(4-octylphenyl) ether
- Polyethylene glycol mono(4-tert-octylphenyl) ether
- Polyethylene glycol mono(p-(1,1,3,3-tetramethylbutyl)phenyl) ether
- Polyethylene glycol mono(p-tert-octylphenyl) ether
- Polyethylene glycol mono[p-(1,1,3,3-tetramethylbutyl)phenyl] ether
- Polyethylene glycol octylphenol ether
- Polyethylene glycol p-(1,1,3,3-tetramethylbutyl)phenyl ether
- Polyethylene glycol p-octylphenol ether
- Polyethylene glycol p-octylphenyl ether
- Polyethylene glycol p-tert-octylphenol ether
- Polyethylene glycol p-tert-octylphenyl ether
- Polyethylene oxide-p-tert-octylphenyl ether
- Polyoxyethylene (10) octylphenyl ether
- Polyoxyethylene (13) octylphenyl ether
- Polyoxyethylene (9) octylphenyl ether
- Polyoxyethylene 4-(1,1,3,3-tetramethylbutyl)phenyl ether
- Polyoxyethylene glycol-p-tert-octylphenyl ether
- Polyoxyethylene mono(octylphenyl) ether
- Preceptin
- Surfac OP 30
- Surfac OP 5
- Surfonic OP 120
- Texofor FP 300
- Triton X 10
- Triton X 100
- Triton X 101
- Triton X 102
- Triton X 105
- Triton X 114
- Triton X 15
- Triton X 165
- Triton X 209
- Triton X 305
- Triton X 35
- Triton X 405
- Triton X 45
- Triton X 705
- Triton X 705-70
- α-[p-(1,1,3,3-Tetramethylbutyl)phenyl]-ω-hydroxypoly(oxyethylene)
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | JYCQQPHGFMYQCF-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C16H26O2/c1-15(2,3)12-16(4,5)13-6-8-14(9-7-13)18-11-10-17/h6-9,17H,10-12H2,1-5H3 |
| IUPAC name chemrof:IUPAC_name | 2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]ethanol, 2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethanol |
| Molecular formula chemrof:molecular_formula | (C2H4O)n.C14H22O, C16H26O2 |
| Molecular mass chemrof:molecular_mass | 250.382 |
| Monoisotopic mass chemrof:monoisotopic_mass | 250.19328 |
| SMILES string chemrof:smiles_string | CC(C)(C)CC(C)(C)c1ccc(OCCO)cc1 |
Known URLs
20Where 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 |
|---|---|---|
| beilstein | beilstein:10243793 | enrich_references.chebi_xrefs |
| beilstein | beilstein:8299849 | enrich_references.chebi_xrefs |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=2315-67-5 | enrich_references.pubchem_identifier_url |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=63869-93-2 | enrich_references.pubchem_identifier_url |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=9002-93-1 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:9750 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.058.637 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.150.206 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID1058680 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=406472 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=5259 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL39763 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/20CAX7IO75 | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0259285 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.219.380G | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/D05229 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C11623 | enrich_references.pubchem_identifier_url |
| kegg.jp | https://www.kegg.jp/entry/D05229 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/5590 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q27253450 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| dacb5f8a-58e9-474e-b750-35a86ce43430 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| 50823a32-12e9-4ef8-b765-dc3464a94fa5 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| 9d80038a-d8c0-42c3-a2c5-4bec8679198e | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| 61a9347e-7c05-4ef3-980d-a49682323a73 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| b9430607-7554-431e-8214-5c0dabec3754 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| fb649540-2381-4d10-92a6-6620f6590a56 | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| 2daeef90-7f6b-44a1-a7b7-4daa825db6a6 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| 4075dcd1-b9c2-4782-adbb-198cbefea16f | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| 1a37153d-1806-435f-b152-6846d2b5fa58 | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| f588bb0d-7b1c-4ebf-88a1-2fadec2c8d25 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 3f8e94a4-9e6e-4154-9fbf-0ac3d68a87fc | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| d0b55706-15c3-437f-bb00-8875e4fbcc3e | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| 7b1cdd7f-580a-4379-94b5-9ae6751f77f7 | 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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{
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{
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{
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{
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{
"@value": "Peg 4-isooctylphenyl ether",
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{
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{
"@value": "Phenol, p-(1,1,3,3-tetramethylbutyl)-, monoether with polyethylene glycol",
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{
"@value": "Photo-Flow 200",
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{
"@value": "Poly(oxy-1,2-ethanediyl), α-[4-(1,1,3,3-tetramethylbutyl)phenyl]-ω-hydroxy-",
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},
{
"@value": "Poly(oxyethylene) p-tert-octylphenyl ether",
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},
{
"@value": "Poly(oxyethylene)-p-tert-octylphenyl ether",
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},
{
"@value": "Polyethylene glycol mono(4-octylphenyl) ether",
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},
{
"@value": "Polyethylene glycol mono(4-tert-octylphenyl) ether",
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{
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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