2-butyl-2-ethylpropane-1,3-diol
fo-404bb78b11981a66
Identity
- Type
- Neutral molecule
- CAS
- 115-84-4
- EC
- 204-111-7
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 54 across every transformer
Structure
Alternative labels
9- 1,3-Propanediol, 2-butyl-2-ethyl-
- 2-Butyl 1-2-ethyl-1,3-propanediol
- 2-Butyl-2-ethyl-1,3-propandiol
- 2-Butyl-2-ethyl-1,3-propanediol
- 2-Butyl-2-ethylpropanediol
- 2-Ethyl-2-butyl-1,3-propanediol
- 3,3-Bis(hydroxymethyl)heptane
- BEP
- BEPD
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | DSKYSDCYIODJPC-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C9H20O2/c1-3-5-6-9(4-2,7-10)8-11/h10-11H,3-8H2,1-2H3 |
| IUPAC name chemrof:IUPAC_name | 2-butyl-2-ethylpropane-1,3-diol |
| Molecular formula chemrof:molecular_formula | C9H20O2 |
| Molecular mass chemrof:molecular_mass | 160.257 |
| Monoisotopic mass chemrof:monoisotopic_mass | 160.14633 |
| SMILES string chemrof:smiles_string | CCCCC(CC)(CO)CO |
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=115-84-4 | enrich_references.consensus_cas_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.003.738 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID8041400 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=406603 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3185639 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/61P3KJ8K4Y | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J5.274D | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/61038 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q15632773 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 56b5873f-a476-4b26-8dcb-b442c91a3001 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| cb756174-8571-48a4-9ea6-b278f74805dc | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| 9bcb7e24-c69e-4338-8086-0f7031a6986e | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| a3f092e2-007d-4465-8c77-74bff320de21 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 050355cd-22df-4f91-ac42-42c34ccbe38d | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 473e28f9-94a3-43a0-ab08-6243835115b3 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| ebd08ddd-c35f-42c3-862a-c9c9e4a740a1 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 37e19c66-ff1d-4f43-a70f-74682c0f89c2 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 25c5b141-108d-40ed-9c26-de0bbf42d09a | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| ec64fc61-67e5-45e1-8205-c1aac586878c | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| fd49b783-fb0d-4ca3-b5ef-f8d6489f4c8b | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 9bc999b6-85ac-4960-b3bc-4ccec457c159 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| cc54d052-c73f-4617-955e-8e2bc4fa454a | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (54 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