1-iodohexadecane

Cetyl iodide
Hexadecane, 1-iodo-
Hexadecyl iodide

Property	Value
InChI2D key string chemrof:inchi2d_key_string	KMWHQYDMBYABKL-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C16H33I/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h2-16H2,1H3
IUPAC name chemrof:IUPAC_name	1-iodohexadecane
Molecular formula chemrof:molecular_formula	C16H33I
Molecular mass chemrof:molecular_mass	352.344
Monoisotopic mass chemrof:monoisotopic_mass	352.162699
SMILES string chemrof:smiles_string	CCCCCCCCCCCCCCCCI

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=544-77-4	enrich_references.consensus_cas_link
chem.echa.europa.eu	https://chem.echa.europa.eu/100.008.073	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID0049317	enrich_references.pubchem_identifier_url
ebi.ac.uk	https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1233571	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/JO95X48M8O	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J95.915D	enrich_references.pubchem_identifier_url
metabolomicsworkbench.org	https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=122972	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/11007	enrich_references.pubchem_compound
Wikidata	https://www.wikidata.org/wiki/Q27281601	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
83243304-9096-400d-951b-f92c5d887586	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
2a8f9be7-37ef-48be-ad36-37a653de76cd	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
2c2af87b-b88d-4594-b88e-5382512a3603	Environmental → Air → Indoor	EF 3.1	kg	2
4ea2cc9e-30ef-4fc7-b0ed-a5ca54f4d5a3	Environmental → Air → Long-term	EF 3.1	kg	0
91614d08-d566-45ef-8fb5-c0e2ef964a62	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
3177ea5b-9918-4a80-a835-648df185fb96	Environmental → Air → Unknown	EF 3.1	kg	2
1ea717dd-e8ee-4420-acad-ba893f80a31c	Environmental → Ground → Agricultural	EF 3.1	kg	2
4200cd75-60db-4572-8e02-eb008e24e4cd	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
73585119-8b1f-4f15-82ce-c6386b1cdc68	Environmental → Ground → Unknown	EF 3.1	kg	2
6b334710-8e0e-41ba-a4f8-fe47d6e3a18a	Environmental → Water → Long-term	EF 3.1	kg	0
ebc3dba0-fea8-4e6e-864f-3b1de65adc8f	Environmental → Water → Ocean	EF 3.1	kg	2
f177ad4c-ca11-4f75-bd75-d702af540046	Environmental → Water → Surface water	EF 3.1	kg	2
020a5b15-988b-4daf-8343-35e0eda983e4	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (54 changes)

Open the changes page

Flow object JSON

{
  "flow_object_id": "fo-35c143cae13bdca0",
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      "@value": "1-iodohexadecane",
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    {
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}

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1-iodohexadecane

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

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