Dibutyl Adipate

1,6-Dibutyl hexanedioate
3PS
Adimoll DB
Adipic acid di-n-butyl ester
Adipic acid, dibutyl ester
AV0900000
Butyl adipate
Cetiol B
Di-n-butyl adipate
Dibutyl hexanedioate
Experimental Tick Repellent 3
Experimental Tick Repellent 3PS
Hexanedioic acid, 1,6-dibutyl ester
Hexanedioic acid, dibutyl ester
Monocizer W 260
Polycizer W 260

Property	Value
Elemental charge chemrof:elemental_charge	0
InChI2D key string chemrof:inchi2d_key_string	XTJFFFGAUHQWII-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C14H26O4/c1-3-5-11-17-13(15)9-7-8-10-14(16)18-12-6-4-2/h3-12H2,1-2H3
IUPAC name chemrof:IUPAC_name	Dibutyl Adipate
Molecular formula chemrof:molecular_formula	C14H26O4
Molecular mass chemrof:molecular_mass	258.358
Monoisotopic mass chemrof:monoisotopic_mass	258.183109, 258.18311
SMILES string chemrof:smiles_string	CCCCOC(=O)CCCCC(=O)OCCCC

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=105-99-7	enrich_references.chebi_xrefs
ChEBI	https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:34686	enrich_references.chebi_id_link
chem.echa.europa.eu	https://chem.echa.europa.eu/100.003.047	enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org	https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=1705	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID2021866	enrich_references.pubchem_identifier_url
dtp.cancer.gov	https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=8086	enrich_references.pubchem_identifier_url
ebi.ac.uk	https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3188143	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/F4K100DXP3	enrich_references.pubchem_identifier_url
HMDB	https://hmdb.ca/metabolites/HMDB0251172	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J5.048B	enrich_references.pubchem_identifier_url
KEGG	https://www.genome.jp/entry/C14253	enrich_references.chebi_xrefs
kegg.jp	https://www.kegg.jp/entry/C14253	enrich_references.pubchem_identifier_url
metabolomicsworkbench.org	https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=67553	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/7784	enrich_references.pubchem_compound
PubChem	https://pubchem.ncbi.nlm.nih.gov/erg/#3082	enrich_references.pubchem_identifier_url
Wikidata	https://www.wikidata.org/wiki/Q27116222	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
67be6ab3-9334-4db0-b4f9-2632aa917967	Environmental → Air → Aircraft cruise height	EF 3.1	kg	4
bbb3a425-2eba-4087-9a4f-9136260e67f9	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	4
435700f0-2bd3-4600-a5d3-752e3b3f053e	Environmental → Air → Indoor	EF 3.1	kg	4
b6e496cb-d25c-4af4-818f-8427fa96c54c	Environmental → Air → Long-term	EF 3.1	kg	0
368c33c1-f73e-460a-bee1-b28d691f6954	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	4
7de79b49-dfa8-4f37-964e-38d3982ebad4	Environmental → Air → Unknown	EF 3.1	kg	4
763e031c-cf7c-490b-8137-98e301e8644e	Environmental → Ground → Agricultural	EF 3.1	kg	4
819476c3-a0aa-4a20-b28a-a1a9c73fc172	Environmental → Ground → Non-agricultural	EF 3.1	kg	4
b2a16f75-a1b2-413d-85b7-49b94fbe0807	Environmental → Ground → Unknown	EF 3.1	kg	4
225a6a98-2a52-4b5f-8e63-a96c8b0925f2	Environmental → Water → Long-term	EF 3.1	kg	0
b590e0ae-0513-45ee-a611-c219b3c22a30	Environmental → Water → Ocean	EF 3.1	kg	4
2a408f45-ac65-4938-abd4-9b1adcdde429	Environmental → Water → Surface water	EF 3.1	kg	4
f77d3adc-5361-4b43-bdff-37314168dd4b	Environmental → Water → Unknown	EF 3.1	kg	4

Everything that changed this substance (57 changes)

Open the changes page

Flow object JSON

{
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You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works

Dibutyl Adipate

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

Full record

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