2,2-bis[(allyloxy)methyl]butan-1-ol

1-Butanol, 2,2-bis[(2-propen-1-yloxy)methyl]-
1-Butanol, 2,2-bis[(2-propenyloxy)methyl]-
1-Butanol, 2,2-bis[(allyloxy)methyl]-
2,2-Bis(allyloxymethyl)-1-butanol
2,2-Bis(prop-2-enoxymethyl)butan-1-ol
2,2-Bis[(2-propen-1-yloxy)methyl]-1-butanol
Diallyl trimethylolpropane ether
Neoallyl T 20
TMPDE 80
TMPDE 90
Tri(hydroxymethyl)propane diallyl ether
Trimethylolpropane diallyl ether
Trimethylpropane diallyl ether

Property	Value
InChI2D key string chemrof:inchi2d_key_string	BDKDHWOPFRTWPP-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C12H22O3/c1-4-7-14-10-12(6-3,9-13)11-15-8-5-2/h4-5,13H,1-2,6-11H2,3H3
IUPAC name chemrof:IUPAC_name	2,2-bis[(allyloxy)methyl]butan-1-ol
Molecular formula chemrof:molecular_formula	C12H22O3
Molecular mass chemrof:molecular_mass	214.305
Monoisotopic mass chemrof:monoisotopic_mass	214.156895
SMILES string chemrof:smiles_string	C=CCOCC(CC)(CO)COCC=C

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=682-09-7	enrich_references.consensus_cas_link
chem.echa.europa.eu	https://chem.echa.europa.eu/100.010.602	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID7044976	enrich_references.pubchem_identifier_url
ebi.ac.uk	https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3184580	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/Q58WDK0444	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J53.875B	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/61196	enrich_references.pubchem_compound
wikidata.org	https://www.wikidata.org/wiki/Q27287021	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
cfe2cc27-c4c5-4a7a-9a4e-e5f166ab0e8c	Environmental → Air → Aircraft cruise height	EF 3.1	kg	4
3f92f300-697f-4ef7-849b-ee2e47304526	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	4
59831b46-29ca-460e-8d20-d6fa1ce0514b	Environmental → Air → Indoor	EF 3.1	kg	4
b711e5af-1016-462c-b0db-c9e0654b68c4	Environmental → Air → Long-term	EF 3.1	kg	0
b043a749-f597-415c-8b1a-99c30fc42fdf	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	4
f1ac44cd-e657-4a2d-b7e7-97f9ec3f0387	Environmental → Air → Unknown	EF 3.1	kg	4
275af3eb-cf9f-4dbe-a1a2-901e3425d5cc	Environmental → Ground → Agricultural	EF 3.1	kg	4
490b5fbd-4869-4d13-ae98-3cb688dbcd93	Environmental → Ground → Non-agricultural	EF 3.1	kg	4
7283e8da-a960-4daf-97d8-a73fec217e7d	Environmental → Ground → Unknown	EF 3.1	kg	4
af309058-b079-417a-9548-13efce963c25	Environmental → Water → Long-term	EF 3.1	kg	0
90fe07a0-c824-40c5-863b-9012cd36336b	Environmental → Water → Ocean	EF 3.1	kg	4
6bfb42cb-0b74-415a-bfda-bf82f002b685	Environmental → Water → Surface water	EF 3.1	kg	4
b505e36e-b160-4673-924c-fcc1007917f9	Environmental → Water → Unknown	EF 3.1	kg	4

Everything that changed this substance (54 changes)

Open the changes page

Flow object JSON

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      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "ec_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

2,2-bis[(allyloxy)methyl]butan-1-ol

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

Full record

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