Butane-1,3-diyl Diacetate

(±)-1,3-Diacetoxybutane
1,3-BGDA
1,3-Butanediol, 1,3-diacetate
1,3-Butanediol, diacetate
1,3-Butanediyl diacetate
1,3-Butylene diacetate
1,3-Butylene glycol diacetate
1,3-Diacetoxybutane
CELTOL 1,3-BGDA

Property	Value
InChI2D key string chemrof:inchi2d_key_string	MPAGVACEWQNVQO-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C8H14O4/c1-6(12-8(3)10)4-5-11-7(2)9/h6H,4-5H2,1-3H3
IUPAC name chemrof:IUPAC_name	Butane-1,3-diyl Diacetate
Molecular formula chemrof:molecular_formula	C8H14O4
Molecular mass chemrof:molecular_mass	174.196
Monoisotopic mass chemrof:monoisotopic_mass	174.089209
SMILES string chemrof:smiles_string	CC(=O)OCCC(C)OC(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=1117-31-3	enrich_references.consensus_cas_link
chem.echa.europa.eu	https://chem.echa.europa.eu/100.012.950	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID00862549	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID60275772	enrich_references.pubchem_identifier_url
dtp.cancer.gov	https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=67338	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/5847L0XU44	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J110.690B	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/79140	enrich_references.pubchem_compound
Wikidata	https://www.wikidata.org/wiki/Q27261548	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
21ee3cf1-564f-4ade-ba09-cf4753dcaa95	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
99ccfe6f-4531-4d69-a058-9911cb7af821	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
edf54360-3dd9-4f1a-996d-75e48ab12204	Environmental → Air → Indoor	EF 3.1	kg	2
86a695b1-f176-48bd-889b-a18bbe2f5d16	Environmental → Air → Long-term	EF 3.1	kg	0
07c548be-7f7f-49df-a9e1-ef143023cd3a	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
7b30d8cb-4b85-486f-975e-9c9590532825	Environmental → Air → Unknown	EF 3.1	kg	2
fdd1429c-5d09-41e7-b768-3862a33f3c1e	Environmental → Ground → Agricultural	EF 3.1	kg	2
150cc066-af55-42b5-a08b-b59101af32da	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
1468e325-b534-41e8-8647-bd0ee40622e9	Environmental → Ground → Unknown	EF 3.1	kg	2
30b0f12f-1550-47ce-bcf3-56db7094110e	Environmental → Water → Long-term	EF 3.1	kg	0
cce5e0c2-a97b-4990-bb13-0ed474e6f612	Environmental → Water → Ocean	EF 3.1	kg	2
f4d401bb-3592-4044-94ea-1ff15103a2c7	Environmental → Water → Surface water	EF 3.1	kg	2
a88bbf20-8e6a-42d6-ae85-dbe9e5d0027f	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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Butane-1,3-diyl Diacetate

Identity

Structure

Alternative labels

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