Benzyl Propionate

benzyl propanoate
Phenylmethyl propanoate
Propanoic acid, phenylmethyl ester
Propionic acid, benzyl ester

Property	Value
Elemental charge chemrof:elemental_charge	0
InChI2D key string chemrof:inchi2d_key_string	VHOMAPWVLKRQAZ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C10H12O2/c1-2-10(11)12-8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
IUPAC name chemrof:IUPAC_name	Benzyl Propionate
Molecular formula chemrof:molecular_formula	C10H12O2
Molecular mass chemrof:molecular_mass	164.204
Monoisotopic mass chemrof:monoisotopic_mass	164.08373
SMILES string chemrof:smiles_string	CCC(=O)OCc1ccccc1

Where 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=122-63-4	enrich_references.chebi_xrefs
ChEBI	https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:180401	enrich_references.chebi_id_link
chem.echa.europa.eu	https://chem.echa.europa.eu/100.004.146	enrich_references.pubchem_identifier_url
ChemSpider	https://www.chemspider.com/Chemical-Structure.28960.html	enrich_references.chebi_xrefs
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID4044791	enrich_references.pubchem_identifier_url
dtp.cancer.gov	https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=46100	enrich_references.pubchem_identifier_url
ebi.ac.uk	https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3185609	enrich_references.pubchem_identifier_url
femaflavor.org	https://www.femaflavor.org/flavor-library/benzyl-propionate	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/307DN1208L	enrich_references.pubchem_identifier_url
HMDB	https://hmdb.ca/metabolites/HMDB0030063	enrich_references.chebi_xrefs
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J5.229I	enrich_references.pubchem_identifier_url
metabolomicsworkbench.org	https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=44185	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/31219	enrich_references.pubchem_compound
wikidata.org	https://www.wikidata.org/wiki/Q10869281	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
9fb80572-b405-467d-b554-90eed8890b3d	Environmental → Air → Aircraft cruise height	EF 3.1	kg	4
d3665e15-4262-4be3-9244-2cb6d04e710e	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	4
64416768-85d9-4dfd-a202-96fffb30ff7c	Environmental → Air → Indoor	EF 3.1	kg	4
5b67939d-ddaf-4608-b359-8ef6f5a0c4f5	Environmental → Air → Long-term	EF 3.1	kg	0
592c01fd-5343-44a1-bd8b-d60ce1846941	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	4
94019d8d-f387-4ba4-b45c-3281878f67a1	Environmental → Air → Unknown	EF 3.1	kg	4
db09870a-210b-400d-ae7c-165a08f6c917	Environmental → Ground → Agricultural	EF 3.1	kg	4
5cafdb20-c706-4b0b-8b69-842b96f272dc	Environmental → Ground → Non-agricultural	EF 3.1	kg	4
64f3d26b-e48f-4e3a-87dd-ed7a6738aec3	Environmental → Ground → Unknown	EF 3.1	kg	4
fd3d3b60-da00-4a5d-91b2-c1a75406f7a2	Environmental → Water → Long-term	EF 3.1	kg	0
fdd8502b-c6ea-4202-93bf-25e1f9bf281b	Environmental → Water → Ocean	EF 3.1	kg	4
9dd104fa-dc9c-44f8-b8db-c53b79f375a3	Environmental → Water → Surface water	EF 3.1	kg	4
c291758e-2668-444e-8c3f-1edb29719bbd	Environmental → Water → Unknown	EF 3.1	kg	4

Everything that changed this substance (55 changes)

Open the changes page

Flow object JSON

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  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

Benzyl Propionate

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

Full record

Keyboard