Consensus flow list

(2-isobutyl-2-methyl-1,3-dioxolan-4-yl)methanol

fo-c9a63d52b936f2f0

Identity

Type
NeutralMolecule
CAS
5660-53-7
EC
692-614-6
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for (2-isobutyl-2-methyl-1,3-dioxolan-4-yl)methanol

Alternative labels

11

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string DFDWGIZZMBNYBV-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C9H18O3/c1-7(2)4-9(3)11-6-8(5-10)12-9/h7-8,10H,4-6H2,1-3H3
IUPAC name chemrof:IUPAC_name (2-isobutyl-2-methyl-1,3-dioxolan-4-yl)methanol
Molecular formula chemrof:molecular_formula C9H18O3
Molecular mass chemrof:molecular_mass 174.24
Monoisotopic mass chemrof:monoisotopic_mass 174.125594
SMILES string chemrof:smiles_string CC(C)CC1(C)OCC(CO)O1

Known URLs

8

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=5660-53-7 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.220.681 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID00884180 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=70004 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/667AGW60OZ enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J25.438J enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/21869 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27263969 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
9f548c0b-a790-40d2-b4a1-dbbfacae29b1 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
c5e899ea-d030-444d-8880-a1b411cdf4c7 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
fc3fc62b-6e2d-48df-b6c2-47931e1736a8 Environmental → Air → Indoor EF 3.1 kg 2
cf8980a4-7c68-4321-ba50-e093d87bb2eb Environmental → Air → Long-term EF 3.1 kg 0
e5f4a83c-05f9-4ace-9ca7-1cd389d00c09 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
fe1df0fe-15da-41d8-ad78-4025f501787a Environmental → Air → Unknown EF 3.1 kg 2
0b18500d-e01e-43a7-912b-6bf1788ea85b Environmental → Ground → Agricultural EF 3.1 kg 2
e16ac208-7f0a-48d0-aaf0-43dfd5afe501 Environmental → Ground → Non-agricultural EF 3.1 kg 2
45b441c3-d9ab-4c01-8e02-766ddec8552b Environmental → Ground → Unknown EF 3.1 kg 2
56bbd8e5-ff0c-42d3-b24d-d5214d657e35 Environmental → Water → Long-term EF 3.1 kg 0
b46b3e76-01f2-4804-aac4-8bc80bad34db Environmental → Water → Ocean EF 3.1 kg 2
07e9ea25-3f6e-4f06-bfc5-378c29e60fd1 Environmental → Water → Surface water EF 3.1 kg 2
8debfd11-d47a-4d3d-8ab7-051b45c15366 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON 
{
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    },
    {
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      "@value": "4-Hydroxymethyl-2-isobutyl-2-methyl-1,3-dioxolane",
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