3-[3-(propan-2-yl)phenyl]butanal

3-(3-Isopropylphenyl)butanal
3-(3-Propan-2-ylphenyl)butanal
Benzenepropanal, β-methyl-3-(1-methylethyl)-
Florhydral
β-Methyl-3-(1-methylethyl)benzenepropanal

Property	Value
InChI2D key string chemrof:inchi2d_key_string	OHRBQTOZYGEWCJ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C13H18O/c1-10(2)12-5-4-6-13(9-12)11(3)7-8-14/h4-6,8-11H,7H2,1-3H3
IUPAC name chemrof:IUPAC_name	3-[3-(propan-2-yl)phenyl]butanal
Molecular formula chemrof:molecular_formula	C13H18O
Molecular mass chemrof:molecular_mass	190.286
Monoisotopic mass chemrof:monoisotopic_mass	190.135765
SMILES string chemrof:smiles_string	CC(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=125109-85-5	enrich_references.consensus_cas_link
chem.echa.europa.eu	https://chem.echa.europa.eu/100.101.142	enrich_references.pubchem_identifier_url
chem.echa.europa.eu	https://chem.echa.europa.eu/100.168.762	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID7051632	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/Z92022479Y	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.563.138D	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/86209	enrich_references.pubchem_compound
rxnav.nlm.nih.gov	https://rxnav.nlm.nih.gov/id/rxnorm/2383935	enrich_references.pubchem_identifier_url
wikidata.org	https://www.wikidata.org/wiki/Q27295162	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
a7da9ce9-5fcf-467f-8d89-1526aa9f1050	Environmental → Air → Aircraft cruise height	EF 3.1	kg	4
c09d1d6e-bf4a-42c7-93bc-c70939fd69e8	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	4
289577a3-a6d0-49e1-a3f7-bd36d1ad9997	Environmental → Air → Indoor	EF 3.1	kg	4
af087dc8-8025-42f1-a238-7bd53026fdd6	Environmental → Air → Long-term	EF 3.1	kg	0
86cec435-a5a5-45b5-a8c0-92f5e81fa1f1	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	4
ce267a6f-ce3f-4caa-9107-04481f796360	Environmental → Air → Unknown	EF 3.1	kg	4
f6526c13-c65e-4c9e-96ff-3a146ad920e0	Environmental → Ground → Agricultural	EF 3.1	kg	4
08b493c3-ea6f-4afc-9e36-793f09b659aa	Environmental → Ground → Non-agricultural	EF 3.1	kg	4
28e172f1-7c14-4915-8124-89d308641a4d	Environmental → Ground → Unknown	EF 3.1	kg	4
fb118230-cd77-4f8b-a2c2-1544886de31d	Environmental → Water → Long-term	EF 3.1	kg	0
32d68698-4dc7-4c67-8d34-aa6928de0290	Environmental → Water → Ocean	EF 3.1	kg	4
71846d45-299e-4d67-a1a8-00815362ee8a	Environmental → Water → Surface water	EF 3.1	kg	4
a82bd401-a039-46f9-a74f-e65d95c7739f	Environmental → Water → Unknown	EF 3.1	kg	4

Everything that changed this substance (53 changes)

Open the changes page

Flow object JSON

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3-[3-(propan-2-yl)phenyl]butanal

Identity

Structure

Alternative labels

Properties

Known URLs

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