Consensus flow list

1,3-dimethylbutyl Acetate

fo-19e4c3b71b6556b5

Identity

Type
NeutralMolecule
CAS
108-84-9
EC
203-621-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for 1,3-dimethylbutyl Acetate

Alternative labels

8

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string CPIVYSAVIPTCCX-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C8H16O2/c1-6(2)5-7(3)10-8(4)9/h6-7H,5H2,1-4H3
IUPAC name chemrof:IUPAC_name 1,3-dimethylbutyl Acetate
Molecular formula chemrof:molecular_formula C8H16O2
Molecular mass chemrof:molecular_mass 144.214
Monoisotopic mass chemrof:monoisotopic_mass 144.11503
SMILES string chemrof:smiles_string CC(=O)OC(C)CC(C)C

Known URLs

11

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=108-84-9 enrich_references.consensus_cas_link
cdc.gov https://www.cdc.gov/niosh-rtecs/SA72D288.html enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.003.293 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=1335 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID6051562 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=567 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/IP9ZB28RWN enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J48.640J enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/7959 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#1233 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q11892870 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
799812c7-afbc-4eb3-951c-334a24c8eaab Environmental → Air → Aircraft cruise height EF 3.1 kg 2
6a56858f-6193-4122-ba91-696fc3968f26 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
47132b0e-7cfb-4fb4-b003-88436cd4f185 Environmental → Air → Indoor EF 3.1 kg 2
32f81aca-c557-4088-b985-7c4af2b6053e Environmental → Air → Long-term EF 3.1 kg 0
6d7d8223-afa2-4ccc-beae-c0d3c45a9832 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
b8c30068-6690-4793-a533-ecce3192682e Environmental → Air → Unknown EF 3.1 kg 2
82e07728-c648-4447-a5d7-eb5587f1109d Environmental → Ground → Agricultural EF 3.1 kg 2
5c1c2576-46ea-4ee1-8b58-0921e029e868 Environmental → Ground → Non-agricultural EF 3.1 kg 2
9d09a6f2-abdb-461e-83e3-0c6d1a4c8ad1 Environmental → Ground → Unknown EF 3.1 kg 2
1af47a4e-c527-44c7-9cf9-41089e96f9c9 Environmental → Water → Long-term EF 3.1 kg 0
b3e7b35d-121c-4948-9671-29256c76d50d Environmental → Water → Ocean EF 3.1 kg 2
175e645f-0b58-4fdc-a3e7-e10c36ada416 Environmental → Water → Surface water EF 3.1 kg 2
0d44849d-03e5-4a99-a897-e75495be3334 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON 
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