2-propylheptan-1-ol
fo-a83c2a5b9a058318
Identity
- Type
- Neutral molecule
- CAS
- 10042-59-8
- EC
- 233-126-1
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 53 across every transformer
Structure
Alternative labels
6- 1-Heptanol, 2-propyl-
- 2-Propyl-1-heptan-1-ol
- 2-Propyl-1-heptanol
- 2-Propylheptanol
- 2-Propylheptanol-1-ol
- 2-Propylheptyl alcohol
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | YLQLIQIAXYRMDL-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C10H22O/c1-3-5-6-8-10(9-11)7-4-2/h10-11H,3-9H2,1-2H3 |
| IUPAC name chemrof:IUPAC_name | 2-propylheptan-1-ol |
| Molecular formula chemrof:molecular_formula | C10H22O |
| Molecular mass chemrof:molecular_mass | 158.285 |
| Monoisotopic mass chemrof:monoisotopic_mass | 158.167065 |
| SMILES string chemrof:smiles_string | CCCCCC(CO)CCC |
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=10042-59-8 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.030.102 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID9029302 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3186950 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/ROZ1V94YZK | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J49.364C | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/24847 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q7250471 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/2-Propylheptanol | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 9d791287-d2db-4127-afb5-8ddacfeb8019 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| a27ddf0c-685f-4406-8e3d-64add5f6ef9c | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| 987aeb9e-f6ba-4261-8b10-d6c6f5e17689 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| d2cc9ea1-c776-4f6d-8491-493049434155 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| cd8551f1-a23f-4700-bc4e-842ac2dac408 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 66184df6-7865-4e99-91e1-41b80ba4055c | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| f5384e59-ba76-4374-a2ac-7378dbb60fe4 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 4cdf83c5-328e-4c3b-a331-89835910b2e1 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| e5c19d40-6ace-4b73-b005-724e8ae9076e | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| 127df3b2-a9be-48fd-ba06-a64767aed7b0 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 3f27da18-2b81-4fa4-a487-fef478be07d8 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 5403736e-8482-4100-8c87-01fb6182e6ad | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 600a83c7-0038-491e-92d2-98cb26e391eb | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (53 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