Pentane-1,5-diol
fo-18408c2845439e47
Identity
- Type
- Neutral molecule
- CAS
- 111-29-5
- EC
- 203-854-4
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 55 across every transformer
Structure
Alternative labels
12- 1,5-Dihydroxypentane
- 1,5-Pentamethylene glycol
- 1,5-Pentanediol
- Cosphaderm Pentiol natural
- Dermosoft Pentiol Eco
- Hydrolite 5 Green
- Microcare Emollient PTG
- Pentamethylene glycol
- Pentylene glycol
- Purolan PD-LO
- α,ω-Pentanediol
- ω-Pentanediol
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | ALQSHHUCVQOPAS-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C5H12O2/c6-4-2-1-3-5-7/h6-7H,1-5H2 |
| IUPAC name chemrof:IUPAC_name | Pentane-1,5-diol |
| Molecular formula chemrof:molecular_formula | C5H12O2 |
| Molecular mass chemrof:molecular_mass | 104.149 |
| Monoisotopic mass chemrof:monoisotopic_mass | 104.08373 |
| SMILES string chemrof:smiles_string | OCCCCCO |
Known URLs
15Where 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=111-29-5 | enrich_references.chebi_xrefs |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=31784-47-1 | enrich_references.pubchem_identifier_url |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:185431 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.003.505 | enrich_references.pubchem_identifier_url |
| ChemSpider | https://www.chemspider.com/Chemical-Structure.13839441.html | enrich_references.chebi_xrefs |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID2041256 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=5927 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL448289 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/07UXZ0SCST | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J5.107A | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=134611 | enrich_references.pubchem_identifier_url |
| pdb-ccd | pdb-ccd:9JE | enrich_references.chebi_xrefs |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/8105 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q161557 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/1,5-Pentanediol | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| ac4300cc-c92b-4b01-8a7b-5488bf2d9172 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| eaf460cd-e8e1-430b-b83e-6353a1932b5c | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| bc8534a9-07fd-455d-b149-90f5026751d1 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 42f2058f-941c-475e-a219-1f9169f50ddc | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 7949c868-f064-40dc-a375-f95ae0c35d65 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| c97d24c5-7f5d-4432-8f97-5273f37474b0 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| a872bb0f-c380-4a97-b2a9-0443429a4282 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 87001eb6-cfa9-4379-8034-23d7cd11daf8 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 69387b86-7bc3-4867-97dd-9d1d828ff3b6 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| 0d751161-7c6c-41a1-a3e9-1caed7f8aa84 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 50779af6-808f-437c-9cb0-61324db2c7bf | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| bd33e709-5f5e-4eda-a27a-b17699214d1c | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 4a49c4d5-8931-4cf1-9a37-1b6eb5d12a39 | 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