2-octadecoxyethanol
fo-1d4c134a10a32eb0
Identity
- Type
- Neutral molecule
- CAS
- 9005-00-9
- EC
- 500-017-8
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 54 across every transformer
Structure
This substance carries 4 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.
Alternative labels
104- 1-Octadecanol, monoether with polyethylene glycol
- Aduxol ST 04
- Aduxol ST 05
- Alkanol S 20
- Alkanol S 60
- Alkasurf SA 2
- Avivan SO 6
- Berol 08
- Brij S 2SO(AP)
- Cemulsol DB 25/18
- Cetalox AT
- Disponil O 55
- Ekaline G 80
- Emalex GL 15
- Emalox SR 7225
- Emulgen 3140S90
- Emulgen E 350
- Ethal CSA 4
- Ethal SA 2
- Ethal SA 20
- Ethal SA 4
- Ethosperse CA 20
- Ethox SA 20
- Ethoxylated octadecyl alcohol
- Ethoxylated stearyl alcohol
- Eumulgin S 2
- Eumulgin S 21
- G 3694POE
- G 3720POE
- Genapol S
- Genapol S 020
- Genapol S 100
- Genapol S 150
- Glycols, polyethylene, monooctadecyl ether
- Heptaethylene glycol monooctadecyl ether
- Hetoxol STA 10
- Hetoxol STA 2
- Hetoxol STA 20
- Hetoxol STA 30
- Jeecol SA 10
- Konion SA 10
- Koremul SE 14
- Koremul SE 20
- Koremul SE 7
- Koremul SE-m
- Leox SC 631
- Levenol PW
- Lipocol S 2
- Lipocol S 20
- Lipocol S 21
- Lumulse S 20
- Macol SA
- Macrogol stearyl ether
- Mergital ST 30
- Mulsifan CSA 20
- Noigen ET 157
- Octadecanol polyoxyethylene ether
- Octadecyl polyoxyethylene ether
- PEG monostearyl ether
- PEG stearyl ether
- Pegnol S 4D
- Peregol O
- Persoft NK 100C
- Pionin D 1402
- Pionin D 1405
- Pionin D 1420
- POE stearyl ether
- POE-20 stearyl ether
- Poly(ethylene oxide) monostearyl ether
- Poly(oxy-1,2-ethanediyl), α-octadecyl-ω-hydroxy-
- Poly(oxyethylene) monooctadecyl ether
- Poly(oxyethylene) stearyl ether
- Polyethoxylated octadecanol
- Polyethylene glycol monooctadecyl ether
- Polyethylene glycol monostearyl ether
- Polyethylene glycol octadecyl ether
- Polyethylene glycol stearyl ether
- Polyethylene glycol stearyl monoether
- Polyethylene oxide stearyl ether
- Polyethylene(2) stearyl ether
- Polyoxy 40 stearate
- Polyoxyethylene glycol stearyl ether
- Polyoxyethylene octadecyl ether
- Polyoxyethylene stearyl alcohol ether
- Procol SA 20
- Simulsol 72
- Simulsol 76
- Simulsol 78
- SP Brij S 20MBAL-PA(RB)
- Steareth
- Stearyl alcohol ethoxylate
- Stearyl polyoxyethylene ether
- Sunmorl S 1500
- Syntanol ATsSE 20
- Syntanol S 9
- Takesurf D 1402
- Tego Alkanol S 2
- Tego Alkanol S 20P
- Tego Alkanol S 2P
- Ultradel R 540
- Ultriol RH 250
- Volpo S 10
- Volpo S 2
- Volpo S 20
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | DTDKHKVFLIYGKY-UHFFFAOYSA-N, ICIDSZQHPUZUHC-UHFFFAOYSA-N, ILCOCZBHMDEIAI-UHFFFAOYSA-N, JKXYOQDLERSFPT-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C20H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-20-18-21/h21H,2-20H2,1H3, InChI=1S/C22H46O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-24-21-22-25-20-18-23/h23H,2-22H2,1H3, InChI=1S/C28H58O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-30-21-23-32-25-27-34-28-26-33-24-22-31-20-18-29/h29H,2-28H2,1H3, InChI=1S/C58H118O21/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-60-21-23-62-25-27-64-29-31-66-33-35-68-37-39-70-41-43-72-45-47-74-49-51-76-53-55-78-57-58-79-56-54-77-52-50-75-48-46-73-44-42-71-40-38-69-36-34-67-32-30-65-28-26-63-24-22-61-20-18-59/h59H,2-58H2,1H3 |
| IUPAC name chemrof:IUPAC_name | 2-(2-octadecoxyethoxy)ethanol, 2-(2-stearyloxyethoxy)ethanol, 2-[2-[2-[2-(2-octadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethanol, 2-[2-[2-[2-(2-stearyloxyethoxy)ethoxy]ethoxy]ethoxy]ethanol, 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-octadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol, 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-stearyloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol, 2-octadecoxyethanol, 2-stearyloxyethanol |
| Molecular formula chemrof:molecular_formula | C20H42O2, C22H46O3, C28H58O6, C58H118O21 |
| SMILES string chemrof:smiles_string | CCCCCCCCCCCCCCCCCCOCCO, CCCCCCCCCCCCCCCCCCOCCOCCO, CCCCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCO, CCCCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO |
Known URLs
27Where 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=16057-43-5 | enrich_references.pubchem_identifier_url |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=2136-72-3 | enrich_references.pubchem_identifier_url |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=9005-00-9 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.016.704 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.109.952 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.163.928 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID00991409 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID60858842 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID90936344 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3181944 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/V56DFE46J5 | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0244951 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.334.446I | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J110.984G | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J730.882E | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J758.958A | enrich_references.pubchem_identifier_url |
| kegg.jp | https://www.kegg.jp/entry/D08975 | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=130590 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/2724260 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/4165923 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/4616903 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/75050 | enrich_references.pubchem_compound |
| rxnav.nlm.nih.gov | https://rxnav.nlm.nih.gov/id/rxnorm/1426352 | enrich_references.pubchem_identifier_url |
| wikidata.org | https://www.wikidata.org/wiki/Q126601693 | enrich_references.pubchem_identifier_url |
| wikidata.org | https://www.wikidata.org/wiki/Q27291552 | enrich_references.pubchem_identifier_url |
| wikidata.org | https://www.wikidata.org/wiki/Q81977843 | enrich_references.pubchem_identifier_url |
| wikidata.org | https://www.wikidata.org/wiki/Q82981150 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| a43be2a6-db88-48c5-bcd1-414a08d3c911 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| aceae20f-92dc-4cde-9dec-c74ed6c3e08d | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| c05f371d-5c3d-4b1c-83ec-12e91eeb99c0 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| cbb922ef-e1a3-4da8-b377-5a95d20bfbe6 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 51cfdb1c-3ba6-4c2b-aa0e-930fd6eaf8c0 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 573dce88-0822-4b37-9083-270d7475713f | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| f42bd243-7545-4724-9b6f-4b239fb42422 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| d4e6ef03-3684-4040-af9d-417960533610 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 3bc3cf85-7a4e-451b-aee2-008c26f48877 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| ecb01840-40a8-4ed8-b7d1-3504fc76a15f | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| e541ee7f-57be-4dc8-a016-36d5840f1733 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 689eee26-80fa-41cf-944f-4555aa066904 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 907e2504-24a7-4f04-8471-d18251ce9aef | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (54 changes)
Full record
Flow object JSON
{
"flow_object_id": "fo-1d4c134a10a32eb0",
"prefLabel": [
{
"@value": "2-octadecoxyethanol",
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"altLabel": [
{
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{
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{
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{
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{
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{
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},
{
"@value": "Avivan SO 6",
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{
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{
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{
"@value": "Cemulsol DB 25/18",
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},
{
"@value": "Cetalox AT",
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{
"@value": "Disponil O 55",
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},
{
"@value": "Ekaline G 80",
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},
{
"@value": "Emalex GL 15",
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},
{
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},
{
"@value": "Emulgen 3140S90",
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{
"@value": "Emulgen E 350",
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},
{
"@value": "Ethal CSA 4",
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},
{
"@value": "Ethal SA 2",
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],
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}
},
{
"@value": "Ethal SA 20",
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},
{
"@value": "Ethal SA 4",
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],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Ethosperse CA 20",
"@language": "en",
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"provenance": {
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],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Ethox SA 20",
"@language": "en",
"@lang": "en",
"provenance": {
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"https://commonchemistry.cas.org/detail?cas_rn=9005-00-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Ethoxylated octadecyl alcohol",
"@language": "en",
"@lang": "en",
"provenance": {
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"prov:wasAttributedTo": "consensus-flow-list",
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"https://commonchemistry.cas.org/detail?cas_rn=9005-00-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Ethoxylated stearyl alcohol",
"@language": "en",
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"provenance": {
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],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Eumulgin S 2",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
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"https://commonchemistry.cas.org/detail?cas_rn=9005-00-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
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