3-(3-(prop-1-en-2-yl)phenyl)butanal

3-(3-Propen-2-yl phenyl) butanal
Benzenepropanal, β-methyl-3-(1-methylethenyl)-
β-Methyl-3-(1-methylethenyl)benzenepropanal

Property	Value
InChI2D key string chemrof:inchi2d_key_string	YYANKIXCOSAFMF-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C13H16O/c1-10(2)12-5-4-6-13(9-12)11(3)7-8-14/h4-6,8-9,11H,1,7H2,2-3H3
IUPAC name chemrof:IUPAC_name	3-(3-(prop-1-en-2-yl)phenyl)butanal
Molecular formula chemrof:molecular_formula	C13H16O
Molecular mass chemrof:molecular_mass	188.27
Monoisotopic mass chemrof:monoisotopic_mass	188.120115
SMILES string chemrof:smiles_string	C=C(C)c1cccc(C(C)CC=O)c1

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=125109-84-4	enrich_references.pubchem_identifier_url
chem.echa.europa.eu	https://chem.echa.europa.eu/100.228.414	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID50888911	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.563.104J	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/86208	enrich_references.pubchem_compound
Wikidata	https://www.wikidata.org/wiki/Q82868680	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
3ad13727-b3e6-46cb-b8b9-e164507d5f23	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
a3c9765c-9ddd-4dca-ac23-282026625b7a	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
b55fad47-47cd-4e0a-8b7a-8f5e9c411db3	Environmental → Air → Indoor	EF 3.1	kg	2
7ff7c65b-9105-4e1c-9187-d3d3ff6640b3	Environmental → Air → Long-term	EF 3.1	kg	0
e5e71db3-c246-4927-9c93-9e7df568c910	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
4cb55227-6fd1-45b5-ba7b-bd1b0776db71	Environmental → Air → Unknown	EF 3.1	kg	2
3629b20c-9015-4788-9621-bfb296858db7	Environmental → Ground → Agricultural	EF 3.1	kg	2
9f7170dc-93ad-4f57-8ad6-8f808c4e28ca	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
bf1175fa-f22b-4947-99b3-6e2b59666694	Environmental → Ground → Unknown	EF 3.1	kg	2
1e834c2d-8f91-47b9-ac98-7ef2e6da47dd	Environmental → Water → Long-term	EF 3.1	kg	0
6c050b45-85ad-4aa1-9fcf-bc546cecf1a3	Environmental → Water → Ocean	EF 3.1	kg	2
7bac9699-5714-4bce-87d5-1473a06f85c8	Environmental → Water → Surface water	EF 3.1	kg	2
15afb90d-c62e-473d-a25d-e767c05b4215	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (53 changes)

Open the changes page

Flow object JSON

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3-(3-(prop-1-en-2-yl)phenyl)butanal

Identity

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