2,2-dimethyl-3-oxopropyl Dodecanoate

2,2-Dimethyl-3-lauroyloxypropanal
2,2-Dimethyl-3-oxopropyl laurate
Dodecanoic acid, 2,2-dimethyl-3-oxopropyl ester

Property	Value
InChI2D key string chemrof:inchi2d_key_string	YRDQAIWXWUHXPQ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C17H32O3/c1-4-5-6-7-8-9-10-11-12-13-16(19)20-15-17(2,3)14-18/h14H,4-13,15H2,1-3H3
IUPAC name chemrof:IUPAC_name	2,2-dimethyl-3-oxopropyl Dodecanoate
Molecular formula chemrof:molecular_formula	C17H32O3
Molecular mass chemrof:molecular_mass	284.44
Monoisotopic mass chemrof:monoisotopic_mass	284.235145
SMILES string chemrof:smiles_string	CCCCCCCCCCCC(=O)OCC(C)(C)C=O

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=102985-93-3	enrich_references.pubchem_identifier_url
chem.echa.europa.eu	https://chem.echa.europa.eu/100.104.889	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID20893618	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.749.307D	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/23105499	enrich_references.pubchem_compound
wikidata.org	https://www.wikidata.org/wiki/Q81987714	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
e14918f9-6c99-4946-8e36-7d97489d4ec0	Environmental → Air → Aircraft cruise height	EF 3.1	kg	4
a3a45c16-4dde-4be6-b502-9eca2aed77e9	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	4
6deec075-5b0f-40c2-b99d-869a8c2954ce	Environmental → Air → Indoor	EF 3.1	kg	4
9f4c2d2b-7c73-47dc-838a-91e412732733	Environmental → Air → Long-term	EF 3.1	kg	0
26ba7c3d-7e80-45b8-9e97-05cf5fdf0c01	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	4
c49a762c-44db-4c9b-a311-30a2434613bd	Environmental → Air → Unknown	EF 3.1	kg	4
ec5f5972-427f-4adc-9a65-c531c552fc27	Environmental → Ground → Agricultural	EF 3.1	kg	4
f169b501-6e88-4c8b-a67c-a4699bf5d0b3	Environmental → Ground → Non-agricultural	EF 3.1	kg	4
2081bb6b-02e8-473c-be59-0270954ae897	Environmental → Ground → Unknown	EF 3.1	kg	4
5304de24-dfcf-47ba-80e4-579eefae7f64	Environmental → Water → Long-term	EF 3.1	kg	0
09e538fb-c9f1-4e47-9b3e-ac8bf4446d2f	Environmental → Water → Ocean	EF 3.1	kg	4
055d6226-5120-44d4-900b-f372e654ab23	Environmental → Water → Surface water	EF 3.1	kg	4
0baa03cb-110a-468c-bdf6-f586908e58d8	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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2,2-dimethyl-3-oxopropyl Dodecanoate

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

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