Consensus flow list

3,5-dimethylhex-1-yn-3-ol

fo-9fed7b0359503ea4

Identity

Type
Neutral molecule
CAS
107-54-0
EC
203-500-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 3,5-dimethylhex-1-yn-3-ol

Alternative labels

8

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string NECRQCBKTGZNMH-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C8H14O/c1-5-8(4,9)6-7(2)3/h1,7,9H,6H2,2-4H3
IUPAC name chemrof:IUPAC_name 3,5-dimethylhex-1-yn-3-ol
Molecular formula chemrof:molecular_formula C8H14O
Molecular mass chemrof:molecular_mass 126.199
Monoisotopic mass chemrof:monoisotopic_mass 126.104465
SMILES string chemrof:smiles_string C#CC(C)(O)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=107-54-0 enrich_references.consensus_cas_link
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=1321-33-1 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.003.183 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.311.073 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID6041472 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=978 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3184632 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/Q988C9BDWK enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J35.170I enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/61018 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q15632750 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
724e9b7b-5b19-4408-b141-3c616ece4fc7 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
22d71d27-5613-46b6-8bcf-081ce1b7dfba Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
5f711a8b-09b3-4751-ab3a-293a69c1b935 Environmental → Air → Indoor EF 3.1 kg 2
236e5534-a386-4d31-8a26-d4219a4037af Environmental → Air → Long-term EF 3.1 kg 0
b487d390-f1da-4d21-9f41-6ba90842ffaf Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
9289a5ef-cee6-411a-930f-d949b8b4de38 Environmental → Air → Unknown EF 3.1 kg 2
9de4b320-d599-4619-9201-eb33db41dd87 Environmental → Ground → Agricultural EF 3.1 kg 2
08998225-e4d0-4b1d-a3f4-e0a704849596 Environmental → Ground → Non-agricultural EF 3.1 kg 2
b99ca350-e003-424e-8d44-f8f2513f1d1f Environmental → Ground → Unknown EF 3.1 kg 2
97a2cadb-80fc-4c99-9dc0-8b63e9129dc9 Environmental → Water → Long-term EF 3.1 kg 0
c0945f70-23b0-4f39-b795-d154afeb0ccc Environmental → Water → Ocean EF 3.1 kg 2
f45cb73c-d43f-4d25-9219-65da90160a2f Environmental → Water → Surface water EF 3.1 kg 2
b2c846ce-7a13-4564-a854-c7f0b2f5e03b 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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