1,3-dioxepane

1,3-Dioxacycloheptane
1,3-Dioxepan
1,3-Dioxepin, tetrahydro-
1,4-Butanediol formal
Tetramethylene formal

Property	Value
InChI2D key string chemrof:inchi2d_key_string	CZLMRJZAHXYRIX-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C5H10O2/c1-2-4-7-5-6-3-1/h1-5H2
IUPAC name chemrof:IUPAC_name	1,3-dioxepane
Molecular formula chemrof:molecular_formula	C5H10O2
Molecular mass chemrof:molecular_mass	102.133
Monoisotopic mass chemrof:monoisotopic_mass	102.06808
SMILES string chemrof:smiles_string	C1CCOCOC1

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=25037-55-2	enrich_references.pubchem_identifier_url
CAS Common Chemistry	https://commonchemistry.cas.org/detail?cas_rn=505-65-7	enrich_references.consensus_cas_link
chem.echa.europa.eu	https://chem.echa.europa.eu/100.007.287	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID0029183	enrich_references.pubchem_identifier_url
dtp.cancer.gov	https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=62077	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/06TKO0IFJN	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J182.258F	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/68162	enrich_references.pubchem_compound
wikidata.org	https://www.wikidata.org/wiki/Q19759739	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
c31d6058-2db2-48d5-8abd-5c3f704ae21d	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
159ecb88-02f5-4e8f-ae9c-b798ecf2a498	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
88383fc2-6ef6-4a01-a84c-a07cefa65389	Environmental → Air → Indoor	EF 3.1	kg	2
c978f67f-6328-46a8-bc1b-cf6a12c681f8	Environmental → Air → Long-term	EF 3.1	kg	0
a288ff36-6ef8-486b-83d6-d691d8344645	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
5563c1f4-5ec0-4f81-81bf-87456a0ea4a9	Environmental → Air → Unknown	EF 3.1	kg	2
c333a028-dafa-4fee-9737-4e64ddfe145e	Environmental → Ground → Agricultural	EF 3.1	kg	2
de9b129c-440d-45cb-b17c-8355ec0285c5	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
b1252a20-5aef-42c0-8517-864a28b8edac	Environmental → Ground → Unknown	EF 3.1	kg	2
2856bf14-5385-473d-9544-9a6dfba4e14c	Environmental → Water → Long-term	EF 3.1	kg	0
baa02d56-1d08-4c31-bf71-8d7cea92611d	Environmental → Water → Ocean	EF 3.1	kg	2
0fe7ad3c-88cf-4c4b-b975-d4dd6ded7540	Environmental → Water → Surface water	EF 3.1	kg	2
eb029fb4-d179-4ae3-a4b1-68e448e69d28	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (55 changes)

Open the changes page

Flow object JSON

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1,3-dioxepane

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

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