Limonene
fo-169af6c86d8d002a
Identity
- Type
- Neutral molecule
- CAS
- 138-86-3
- EC
- 205-341-0
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 57 across every transformer
Structure
Alternative labels
29- (+-)-(RS)-limonene
- (±)-1-Methyl-4-(1-methylvinyl)cyclohexene
- 1,8-p-menthadiene
- 1-methyl-4-(1-methylethenyl)cyclohexene
- 1-Methyl-4-(1-methylvinyl)cyclohexene
- 1-methyl-4-(prop-1-en-2-yl)cyclohex-1-ene
- 1-Methyl-4-isopropenyl-1-cyclohexene
- 1-Methyl-4-isopropenylcyclohexene
- 1-Methyl-4-prop-1-en-2-yl-cyclohexene
- 1-Methyl-p-isopropenyl-1-cyclohexene
- 4-Isopropenyl-1-methyl-1-cyclohexene
- Cajeputen
- Cajeputene
- Cinen
- Cinene
- Cyclohexene, 1-methyl-4-(1-methylethenyl)-
- Dipenten
- dl-Limonene
- Eulimen
- Flavor orange
- Florasolv DPE
- Goldflush II
- Kautschin
- Lemosol
- Limonen
- Nesol
- Orange flavor
- Orange X
- Roti-Histol
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | XMGQYMWWDOXHJM-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3 |
| IUPAC name chemrof:IUPAC_name | 1,8-p-menthadiene |
| 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 | C=C(C)C1CC=C(C)CC1 |
Known URLs
30Where 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=138-86-3 | enrich_references.chebi_xrefs |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=9003-73-0 | enrich_references.pubchem_identifier_url |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:15384 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.004.856 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.028.848 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.170.815 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID2029612 | enrich_references.pubchem_identifier_url |
| drugbank.ca | https://www.drugbank.ca/drugs/DB19146 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=21446 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=757069 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=844 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL15799 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/9MC3I34447 | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0032473 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.532A | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C06078 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C06078 | enrich_references.pubchem_identifier_url |
| kegg.jp | https://www.kegg.jp/entry/D00194 | enrich_references.pubchem_identifier_url |
| knapsack | knapsack:C00000823 | enrich_references.chebi_xrefs |
| knapsack | knapsack:C00003043 | enrich_references.chebi_xrefs |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=123668 | enrich_references.pubchem_identifier_url |
| ncithesaurus.nci.nih.gov | https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C61709 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/22311 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/erg/#2052 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=529186 | enrich_references.pubchem_identifier_url |
| reaxys | reaxys:774123 | enrich_references.chebi_xrefs |
| rxnav.nlm.nih.gov | https://rxnav.nlm.nih.gov/id/rxnorm/1426477 | enrich_references.pubchem_identifier_url |
| umbbd.compound | umbbd.compound:c0626 | enrich_references.chebi_xrefs |
| Wikidata | https://www.wikidata.org/wiki/Q278809 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Limonene | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 041fab15-6556-11dd-ad8b-0800200c9a66 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| 4d9a8790-3ddd-11dd-8ed5-0050c2490048 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| 1a3e633d-b21d-4288-b81b-1815681594b8 | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| 4d9a8790-3ddd-11dd-8ed4-0050c2490048 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 4d9a8790-3ddd-11dd-8ed6-0050c2490048 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| 4d9a8790-3ddd-11dd-8ed3-0050c2490048 | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| 041fab13-6556-11dd-ad8b-0800200c9a66 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| 041fab16-6556-11dd-ad8b-0800200c9a66 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| 041fab18-6556-11dd-ad8b-0800200c9a66 | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| 041fab1a-6556-11dd-ad8b-0800200c9a66 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 041fab17-6556-11dd-ad8b-0800200c9a66 | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| 041fab14-6556-11dd-ad8b-0800200c9a66 | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| 041fab19-6556-11dd-ad8b-0800200c9a66 | 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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{
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},
{
"@value": "Cajeputen",
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{
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{
"@value": "Cinen",
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},
{
"@value": "Cinene",
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},
{
"@value": "Cyclohexene, 1-methyl-4-(1-methylethenyl)-",
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},
{
"@value": "Dipenten",
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},
{
"@value": "dl-Limonene",
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},
{
"@value": "Flavor orange",
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},
{
"@value": "Florasolv DPE",
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},
{
"@value": "Goldflush II",
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{
"@value": "Kautschin",
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{
"@value": "Lemosol",
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{
"@value": "Limonen",
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},
{
"@value": "Nesol",
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},
{
"@value": "Orange flavor",
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},
{
"@value": "Orange X",
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},
{
"@value": "Roti-Histol",
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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