Benzyl Alcohol
fo-376eb3761f547ada
Identity
- Type
- Neutral molecule
- CAS
- 100-51-6
- EC
- 202-859-9
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 57 across every transformer
Structure
Alternative labels
16- alcoholum benzylicum
- alcool benzylique
- alpha-Hydroxytoluene
- alpha-toluenol
- Aromatic alcohol
- benzenecarbinol
- Benzenemethanol
- Benzylalkohol
- benzylic alcohol
- MeSH ID: D019905
- Phenylcarbinol
- Phenylmethanol
- phenylmethyl alcohol
- Sunmorl BK 20
- α-Hydroxytoluene
- α-Toluenol
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | WVDDGKGOMKODPV-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2 |
| IUPAC name chemrof:IUPAC_name | Benzyl Alcohol |
| Molecular formula chemrof:molecular_formula | C7H8O |
| Molecular mass chemrof:molecular_mass | 108.14 |
| Monoisotopic mass chemrof:monoisotopic_mass | 108.05751, 108.057515 |
| SMILES string chemrof:smiles_string | OCc1ccccc1 |
Known URLs
41Where 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=100-51-6 | enrich_references.chebi_xrefs |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=27134-46-9 | enrich_references.pubchem_identifier_url |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:17987 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.002.600 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.271.332 | enrich_references.pubchem_identifier_url |
| chemicalsafety.ilo.org | https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0833 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID5020152 | enrich_references.pubchem_identifier_url |
| drugbank.ca | https://www.drugbank.ca/drugs/DB06770 | enrich_references.pubchem_identifier_url |
| drugcentral | drugcentral:334 | enrich_references.chebi_xrefs |
| drugcentral.org | https://drugcentral.org/drugcard/334 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=760098 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=8044 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL720 | enrich_references.pubchem_identifier_url |
| femaflavor.org | https://www.femaflavor.org/flavor-library/benzyl-alcohol | enrich_references.pubchem_identifier_url |
| gmelin | gmelin:26514 | enrich_references.chebi_xrefs |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/LKG8494WBH | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0003119 | enrich_references.chebi_xrefs |
| hts.usitc.gov | https://hts.usitc.gov/search?query=2906.21.00.00 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J4.009F | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C00556 | enrich_references.chebi_xrefs |
| KEGG | https://www.genome.jp/entry/C03485 | enrich_references.chebi_xrefs |
| KEGG | https://www.genome.jp/entry/D00077 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C00556 | enrich_references.pubchem_identifier_url |
| kegg.jp | https://www.kegg.jp/entry/C03485 | enrich_references.pubchem_identifier_url |
| kegg.jp | https://www.kegg.jp/entry/D00077 | enrich_references.pubchem_identifier_url |
| knapsack | knapsack:C00029811 | enrich_references.chebi_xrefs |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=38253 | enrich_references.pubchem_identifier_url |
| MetaCyc | https://metacyc.org/compound?orgid=META&id=BENZYL-ALCOHOL | enrich_references.chebi_xrefs |
| ncithesaurus.nci.nih.gov | https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C77028 | enrich_references.pubchem_identifier_url |
| platform.opentargets.org | https://platform.opentargets.org/drug/CHEMBL720 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/244 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=009274 | enrich_references.pubchem_identifier_url |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/11766131 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/21557223 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/22036973 | enrich_references.chebi_xrefs |
| reaxys | reaxys:878307 | enrich_references.chebi_xrefs |
| rxnav.nlm.nih.gov | https://rxnav.nlm.nih.gov/id/rxnorm/1426 | enrich_references.pubchem_identifier_url |
| umbbd.compound | umbbd.compound:c0278 | enrich_references.chebi_xrefs |
| Wikidata | https://www.wikidata.org/wiki/Q52353 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Benzyl_Alcohol | enrich_references.chebi_xrefs |
| Wikipedia | https://en.wikipedia.org/wiki/Benzyl_alcohol | enrich_references.pubchem_identifier_url |
Elementary flows
15| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| a471af87-ce70-4e0c-b3be-7a133aa4b00d | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| a279cb09-9937-412f-9cee-88d63870130a | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| 1c8f7158-880c-4949-be83-073d15f4fe09 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| f1d74c65-b0e4-422d-9fde-ad4cce5eb0e3 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| b02f929a-fdd6-4f9d-851c-a641c1778673 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 7ea835e5-72ec-46e3-b1cb-88174d570ffa | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| e3cf60ac-b037-4fe5-9fda-e35434caa34d | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 59b69fbc-676b-45a8-92ef-edb802e7277d | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 821b0088-98a0-4d37-bea9-5f2f6c1b038e | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| 3563de8e-3ef2-4aa9-822e-73fdf48771b9 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| d9b99967-0be5-4fe2-90f2-92fabd4aa34e | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| a78c14ea322a891fa84f954c50e00ec328e352e7 | Environmental → Water → River | bafu algorithm addition | kg | 0 |
| 8ce8b2f0-f0ca-4409-9f4a-5b204132953a | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 5536b7ae12f1983baa119d32e35b45a7d13a86e7 | Environmental → Water → Unconfined aquifer | ecoinvent algorithm addition | kg | 0 |
| 73a7807d-b106-423c-993c-47c56017e9c3 | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (57 changes)
Full record
Flow object JSON
{
"flow_object_id": "fo-376eb3761f547ada",
"prefLabel": [
{
"@value": "Benzyl Alcohol",
"@language": "en",
"@lang": "en",
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],
"altLabel": [
{
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{
"@value": "alcool benzylique",
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},
{
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{
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{
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{
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{
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{
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{
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},
{
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{
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},
{
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{
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},
{
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},
{
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"properties": {
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],
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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