Benzaldehyde
fo-4a3a1e1bd5be6a13
Identity
- Type
- Neutral molecule
- CAS
- 100-52-7
- EC
- 202-860-4
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 57 across every transformer
Structure
Alternative labels
15- Artificial almond oil
- Benzaldehyde FFC
- Benzanoaldehyde
- Benzene carbaldehyde
- Benzene carboxaldehyde
- Benzenecarbonal
- Benzenecarboxaldehyde
- Benzenemethylal
- Benzoic acid aldehyde
- Benzoic aldehyde
- Benzylaldehyde
- Ethereal oil of bitter almonds
- Phenylformaldehyde
- Phenylmethanal
- Synthetic oil of bitter almond
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | HUMNYLRZRPPJDN-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H |
| IUPAC name chemrof:IUPAC_name | Benzaldehyde |
| Molecular formula chemrof:molecular_formula | C7H6O |
| Molecular mass chemrof:molecular_mass | 106.124 |
| Monoisotopic mass chemrof:monoisotopic_mass | 106.04186, 106.041865 |
| SMILES string chemrof:smiles_string | O=Cc1ccccc1 |
Known URLs
50Where 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=100-52-7 | enrich_references.chebi_xrefs |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=26006-39-3 | enrich_references.pubchem_identifier_url |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=55279-75-9 | enrich_references.pubchem_identifier_url |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:17169 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.002.601 | enrich_references.pubchem_identifier_url |
| chemicalsafety.ilo.org | https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0102 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID8039241 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=7917 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL15972 | enrich_references.pubchem_identifier_url |
| femaflavor.org | https://www.femaflavor.org/flavor-library/benzaldehyde | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/TA269SD04T | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0006115 | enrich_references.chebi_xrefs |
| hts.usitc.gov | https://hts.usitc.gov/search?query=2912.21.00.00 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J4.010J | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C00193 | enrich_references.chebi_xrefs |
| KEGG | https://www.genome.jp/entry/C00261 | enrich_references.chebi_xrefs |
| KEGG | https://www.genome.jp/entry/D02314 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C00193 | enrich_references.pubchem_identifier_url |
| kegg.jp | https://www.kegg.jp/entry/C00261 | enrich_references.pubchem_identifier_url |
| kegg.jp | https://www.kegg.jp/entry/D02314 | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=38822 | enrich_references.pubchem_identifier_url |
| MetaCyc | https://metacyc.org/compound?orgid=META&id=BENZALDEHYDE | enrich_references.chebi_xrefs |
| ncithesaurus.nci.nih.gov | https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C2591 | enrich_references.pubchem_identifier_url |
| pdb-ccd | pdb-ccd:HBX | enrich_references.chebi_xrefs |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/240 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/erg/#1990 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=521957 | enrich_references.pubchem_identifier_url |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/11943806 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/12692643 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/12738275 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/12746108 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/1388821 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/15087594 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/15658857 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/16248550 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/16508147 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/16557466 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/18348134 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/20733068 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/20878540 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/21035797 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/21538605 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/21773601 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/21828928 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/23263855 | enrich_references.chebi_xrefs |
| reaxys | reaxys:471223 | enrich_references.chebi_xrefs |
| rxnav.nlm.nih.gov | https://rxnav.nlm.nih.gov/id/rxnorm/1314334 | enrich_references.pubchem_identifier_url |
| umbbd.compound | umbbd.compound:c0279 | enrich_references.chebi_xrefs |
| Wikidata | https://www.wikidata.org/wiki/Q372524 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Benzaldehyde | enrich_references.chebi_xrefs |
Elementary flows
14| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| f21411d1-6555-11dd-ad8b-0800200c9a66 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 7 |
| 08a91e70-3ddc-11dd-91f9-0050c2490048 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 7 |
| 3d967963-14af-4cf7-b93a-f7f43e9c93a7 | Environmental → Air → Indoor | EF 3.1 | kg | 6 |
| 08a91e70-3ddc-11dd-91f8-0050c2490048 | Environmental → Air → Long-term | EF 3.1 | kg | 1 |
| 08a91e70-3ddc-11dd-91fa-0050c2490048 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 7 |
| 08a91e70-3ddc-11dd-91f7-0050c2490048 | Environmental → Air → Unknown | EF 3.1 | kg | 7 |
| 08a91e70-3ddc-11dd-9635-0050c2490048 | Environmental → Ground → Agricultural | EF 3.1 | kg | 6 |
| 08a91e70-3ddc-11dd-91e6-0050c2490048 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 6 |
| 08a91e70-3ddc-11dd-91f6-0050c2490048 | Environmental → Ground → Unknown | EF 3.1 | kg | 6 |
| 08a91e70-3ddc-11dd-91fc-0050c2490048 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 08a91e70-3ddc-11dd-91e7-0050c2490048 | Environmental → Water → Ocean | EF 3.1 | kg | 6 |
| 08a91e70-3ddc-11dd-91fb-0050c2490048 | Environmental → Water → Surface water | EF 3.1 | kg | 6 |
| 99a4f3373484cde1ddd5477065f44c2f840d9cf2 | Environmental → Water → Unconfined aquifer | stepwise algorithm addition | kg | 0 |
| 08a91e70-3ddc-11dd-91fd-0050c2490048 | Environmental → Water → Unknown | EF 3.1 | kg | 6 |
History
Everything that changed this substance (57 changes)
Full record
Flow object JSON
{
"flow_object_id": "fo-4a3a1e1bd5be6a13",
"prefLabel": [
{
"@value": "Benzaldehyde",
"@language": "en",
"@lang": "en",
"provenance": {
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"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "legacy name field"
}
}
],
"altLabel": [
{
"@value": "Artificial almond oil",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "chebi_altlabels",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1",
"http://purl.obolibrary.org/obo/CHEBI_17169"
],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "Benzaldehyde FFC",
"@language": "en",
"@lang": "en",
"provenance": {
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"prov:hadPrimarySource": [
"CAS:100-52-7",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=100-52-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Benzanoaldehyde",
"@language": "en",
"@lang": "en",
"provenance": {
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],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "Benzene carbaldehyde",
"@language": "en",
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],
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}
},
{
"@value": "Benzene carboxaldehyde",
"@language": "en",
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"provenance": {
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],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "Benzenecarbonal",
"@language": "en",
"@lang": "en",
"provenance": {
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"prov:wasAttributedTo": "consensus-flow-list",
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"EF 3.1",
"http://purl.obolibrary.org/obo/CHEBI_17169"
],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "Benzenecarboxaldehyde",
"@language": "en",
"@lang": "en",
"provenance": {
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"EF 3.1",
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],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "Benzenemethylal",
"@language": "en",
"@lang": "en",
"provenance": {
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"prov:wasAttributedTo": "consensus-flow-list",
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"EF 3.1",
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],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "Benzoic acid aldehyde",
"@language": "en",
"@lang": "en",
"provenance": {
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"prov:wasAttributedTo": "consensus-flow-list",
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"EF 3.1",
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],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "Benzoic aldehyde",
"@language": "en",
"@lang": "en",
"provenance": {
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"prov:wasAttributedTo": "consensus-flow-list",
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"EF 3.1",
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],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "Benzylaldehyde",
"@language": "en",
"@lang": "en",
"provenance": {
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],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "Ethereal oil of bitter almonds",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "chebi_altlabels",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1",
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],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "Phenylformaldehyde",
"@language": "en",
"@lang": "en",
"provenance": {
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],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "Phenylmethanal",
"@language": "en",
"@lang": "en",
"provenance": {
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"EF 3.1",
"http://purl.obolibrary.org/obo/CHEBI_17169"
],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "Synthetic oil of bitter almond",
"@language": "en",
"@lang": "en",
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}
],
"properties": {
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"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
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],
"attested_by": {
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},
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],
"attested_by": {
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},
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"rdfs:label": "InChI",
"@value": [
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},
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},
"https://w3id.org/chemrof/monoisotopic_mass": {
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"@value": [
106.04186,
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],
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{
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},
{
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},
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"prov:wasDerivedFrom": "chebi.basic_property_values.charge"
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},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"rdfs:label": "IUPAC name",
"@value": [
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],
"provenance": {
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"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
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]
},
"attested_by": {
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}
},
"references": [
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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