4-methyl-6-(2,4,4-trimethylpentyl)-2h-pyran-2-one

2H-Pyran-2-one, 4-methyl-6-(2,4,4-trimethylpentyl)-

Property	Value
InChI2D key string chemrof:inchi2d_key_string	LMCDKONPVQNISE-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C14H22O2/c1-10-6-12(16-13(15)8-10)7-11(2)9-14(3,4)5/h6,8,11H,7,9H2,1-5H3
IUPAC name chemrof:IUPAC_name	4-methyl-6-(2,4,4-trimethylpentyl)-2h-pyran-2-one
Molecular formula chemrof:molecular_formula	C14H22O2
Molecular mass chemrof:molecular_mass	222.328
Monoisotopic mass chemrof:monoisotopic_mass	222.16198
SMILES string chemrof:smiles_string	Cc1cc(CC(C)CC(C)(C)C)oc(=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=50650-75-4	enrich_references.pubchem_identifier_url
chem.echa.europa.eu	https://chem.echa.europa.eu/100.113.342	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID101233855	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/65V4CH23S0	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/18970429	enrich_references.pubchem_compound
wikidata.org	https://www.wikidata.org/wiki/Q27263909	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
71ab0781-af63-4298-bd03-3143e89ab88e	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
0ddab56d-aa99-4a25-9731-3d539405bc43	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
a04d55c5-8b11-4fdb-b267-463959e58e9e	Environmental → Air → Indoor	EF 3.1	kg	2
6b947244-bb44-4e0f-914d-d2e3aea2b6c1	Environmental → Air → Long-term	EF 3.1	kg	0
8aab34b7-38da-49c0-86cc-ee6f82233abc	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
4cf91547-6e1f-463e-8c86-d6245f34bf2f	Environmental → Air → Unknown	EF 3.1	kg	2
54e54367-2274-4cc3-ad05-aa1551e63ad1	Environmental → Ground → Agricultural	EF 3.1	kg	2
0d87dc43-ac7d-4c3f-8b31-949e62915eff	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
4437db46-c51d-4eca-9f59-6ea75283a445	Environmental → Ground → Unknown	EF 3.1	kg	2
fce98fe9-1762-437c-b2d6-b39231f6474c	Environmental → Water → Long-term	EF 3.1	kg	0
b549b2fc-ceac-4d60-92f8-b316c45ed4b9	Environmental → Water → Ocean	EF 3.1	kg	2
7c099c69-4c6d-4ec4-81de-f2f7d06635d2	Environmental → Water → Surface water	EF 3.1	kg	2
97a08ccb-87d5-47e1-8bb2-37a16aeabb0a	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (53 changes)

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Flow object JSON

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4-methyl-6-(2,4,4-trimethylpentyl)-2h-pyran-2-one

Identity

Structure

Alternative labels

Properties

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