Reaction Mass Of (1s,1'r)-[1-(3',3'-dimethyl-1'-cyclohexyl)ethoxycarbonyl]methyl Propanoate, (1r,1'r)-[1-(3',3'-dimethyl-1'-cyclohexyl)ethoxycarbonyl]methyl Propanoate And (1r*,2'r*)-(2,6,6-trimethyl-1-cycloheptyloxycarbonyl)methyl Propanoate

1-(3,3-Dimethylcyclohexyl)ethyl 2-(1-oxopropoxy)acetate
Acetic acid, (1-oxopropoxy)-, 1-(3,3-dimethylcyclohexyl)ethyl ester
Acetic acid, 2-(1-oxopropoxy)-, 1-(3,3-dimethylcyclohexyl)ethyl ester
Romandolide

Property	Value
InChI2D key string chemrof:inchi2d_key_string	PDUFSBFWOJELLV-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C15H26O4/c1-5-13(16)18-10-14(17)19-11(2)12-7-6-8-15(3,4)9-12/h11-12H,5-10H2,1-4H3
IUPAC name chemrof:IUPAC_name	1-(3,3-Dimethylcyclohexyl)ethyl 2-(1-oxopropoxy)acetate
Molecular formula chemrof:molecular_formula	C15H26O4
Molecular mass chemrof:molecular_mass	270.369
Monoisotopic mass chemrof:monoisotopic_mass	270.183109
SMILES string chemrof:smiles_string	CCC(=O)OCC(=O)OC(C)C1CCCC(C)(C)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=236391-76-7	enrich_references.consensus_cas_link
chem.echa.europa.eu	https://chem.echa.europa.eu/100.132.130	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID0051360	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.803.375A	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/21933618	enrich_references.pubchem_compound
wikidata.org	https://www.wikidata.org/wiki/Q81984712	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
59c69c10-1b3f-4bbe-bb32-9b5d0498d0e7	Environmental → Air → Aircraft cruise height	EF 3.1	kg	4
c3d6bdae-25ca-43cd-a064-fb71ed715bcb	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	4
35eadafe-4bb3-449a-88df-48b65e899544	Environmental → Air → Indoor	EF 3.1	kg	4
f2bacf72-a991-46ab-b316-6296914c94ad	Environmental → Air → Long-term	EF 3.1	kg	0
030bce02-861c-463d-9f52-b63a4f1f86c9	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	4
6b250167-3959-463c-9a29-258bee580c98	Environmental → Air → Unknown	EF 3.1	kg	4
bf151c58-ab88-4287-8f49-86b1a03d9e9d	Environmental → Ground → Agricultural	EF 3.1	kg	4
950b75fa-7807-4b63-84af-90448aae97e0	Environmental → Ground → Non-agricultural	EF 3.1	kg	4
1c3e7f8b-7f89-4084-82f1-ee26046ee1e5	Environmental → Ground → Unknown	EF 3.1	kg	4
3506b77d-34b9-4ad3-ab69-03d5a9e8db45	Environmental → Water → Long-term	EF 3.1	kg	0
5e6c45d0-0830-463d-b640-1306d247a966	Environmental → Water → Ocean	EF 3.1	kg	4
3f424ce9-cdaa-4e74-9fff-6f9353e6e80b	Environmental → Water → Surface water	EF 3.1	kg	4
399adb38-98c8-4cea-828d-5c86138931da	Environmental → Water → Unknown	EF 3.1	kg	4

Everything that changed this substance (54 changes)

Open the changes page

Flow object JSON

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Reaction Mass Of (1s,1'r)-[1-(3',3'-dimethyl-1'-cyclohexyl)ethoxycarbonyl]methyl Propanoate, (1r,1'r)-[1-(3',3'-dimethyl-1'-cyclohexyl)ethoxycarbonyl]methyl Propanoate And (1r,2'r)-(2,6,6-trimethyl-1-cycloheptyloxycarbonyl)methyl Propanoate

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

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