Pin-2(3)-ene
fo-3477d16ffff2b46a
Identity
- Type
- Neutral molecule
- CAS
- 80-56-8
- EC
- 201-291-9
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 57 across every transformer
Structure
Alternative labels
6- 2,6,6-trimethylbicyclo[3.1.1]hept-2-ene
- acintene A
- Bicyclo[3.1.1]hept-2-ene, 2,6,6-trimethyl-
- Leavo 95
- pin-2-ene
- Sylvapine A
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | GRWFGVWFFZKLTI-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3 |
| IUPAC name chemrof:IUPAC_name | Pin-2(3)-ene |
| Molecular formula chemrof:molecular_formula | C10H16 |
| Molecular mass chemrof:molecular_mass | 136.238 |
| Monoisotopic mass chemrof:monoisotopic_mass | 136.1252, 136.125201 |
| SMILES string chemrof:smiles_string | CC1=CCC2CC1C2(C)C |
Known URLs
31Where 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 |
|---|---|---|
| bpdb | bpdb:2017 | enrich_references.chebi_xrefs |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=25766-18-1 | enrich_references.pubchem_identifier_url |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=6993-66-4 | enrich_references.pubchem_identifier_url |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=80-56-8 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:36740 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.001.175 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.017.678 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID4026501 | enrich_references.pubchem_identifier_url |
| drugbank.ca | https://www.drugbank.ca/drugs/DB15573 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=7727 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=94522 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=94523 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL442565 | enrich_references.pubchem_identifier_url |
| femaflavor.org | https://www.femaflavor.org/flavor-library/alpha-pinene | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0302508 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.210G | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C09880 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C09880 | enrich_references.pubchem_identifier_url |
| knapsack | knapsack:C00000805 | enrich_references.chebi_xrefs |
| LIPID MAPS | https://www.lipidmaps.org/databases/lmsd/LMPR0102120017 | enrich_references.chebi_xrefs |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=134074 | enrich_references.pubchem_identifier_url |
| MetaCyc | https://metacyc.org/compound?orgid=META&id=Alpha-pinene | enrich_references.chebi_xrefs |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/6654 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/erg/#2368 | enrich_references.pubchem_identifier_url |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/11868675 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/23513743 | enrich_references.chebi_xrefs |
| reaxys | reaxys:3194807 | enrich_references.chebi_xrefs |
| rxnav.nlm.nih.gov | https://rxnav.nlm.nih.gov/id/rxnorm/2362183 | enrich_references.pubchem_identifier_url |
| umbbd.compound | umbbd.compound:c0634 | enrich_references.chebi_xrefs |
| Wikidata | https://www.wikidata.org/wiki/Q27104380 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Alpha-Pinene | enrich_references.chebi_xrefs |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 7ad7f6b0-76be-4e11-95e2-3513a94cc11d | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| 1eaa735e-104a-4e85-b38a-611d9547e38b | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| 04be7ae2-94c7-4270-9da1-a3e90bde0678 | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| 9113bbab-8d71-4460-8362-87e0aace796f | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 528c9a50-5332-4632-80a7-7fb04d258459 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| 0a701083-c7e6-43d1-8ae5-e62050edc5dc | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| 033ca5e6-bd69-4a86-bdc5-2dd5187c7a57 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| a3b5057b-1872-44e9-9465-f96ed1eb1199 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| 4b336f2c-e187-4a4c-b5ac-6c2aa35cbc57 | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| 207ae02b-195f-4d91-9e4d-51ec81ae773a | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 4c2fe7e7-288d-4f5b-8b2f-098b376a3f9d | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| 46dcb180-c5f7-49ca-bb29-6329d73d3af4 | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| 207d277b-6a3b-433f-ac30-2a063d0ef443 | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (57 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