1,1,3-trimethylcyclohexane

3,3,5-Trimethylcyclohexane
Cyclogeraniolane
Cyclohexane, 1,1,3-trimethyl-

Property	Value
InChI2D key string chemrof:inchi2d_key_string	PYOLJOJPIPCRDP-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C9H18/c1-8-5-4-6-9(2,3)7-8/h8H,4-7H2,1-3H3
IUPAC name chemrof:IUPAC_name	1,1,3-trimethylcyclohexane
Molecular formula chemrof:molecular_formula	C9H18
Molecular mass chemrof:molecular_mass	126.243
Monoisotopic mass chemrof:monoisotopic_mass	126.140851
SMILES string chemrof:smiles_string	CC1CCCC(C)(C)C1

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=3073-66-3	enrich_references.pubchem_identifier_url
chem.echa.europa.eu	https://chem.echa.europa.eu/100.019.407	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID60858746	enrich_references.pubchem_identifier_url
dtp.cancer.gov	https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=73965	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/L13QEP2K04	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J13.001J	enrich_references.pubchem_identifier_url
lipidmaps.org	https://lipidmaps.org/databases/lmsd/LMFA11000633	enrich_references.pubchem_identifier_url
metabolomicsworkbench.org	https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=5328	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/18309	enrich_references.pubchem_compound
Wikidata	https://www.wikidata.org/wiki/Q81986169	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
ec8094a4-2a2c-4cb9-81eb-84a6ef5c390f	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
d48cb956-5e76-4978-9c1f-e4817d3db76a	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
e4327f71-17c6-45b5-9377-34febe92e7a0	Environmental → Air → Indoor	EF 3.1	kg	2
a2b01a6a-448d-4281-9b55-0f75df9d6664	Environmental → Air → Long-term	EF 3.1	kg	0
7490ae6e-39ae-47c7-8219-0df63c84312d	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
44060fda-3a43-4c07-af22-1e7acdfeeb71	Environmental → Air → Unknown	EF 3.1	kg	2
22d83169-909c-4289-b127-d7e5d04ca897	Environmental → Ground → Agricultural	EF 3.1	kg	2
c76647e6-fa22-4b53-8512-a157b6f27d88	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
5989245c-41d1-4ea1-bc8d-10e3082c05c9	Environmental → Ground → Unknown	EF 3.1	kg	2
7c156806-3323-451a-9430-0f8555a1af9f	Environmental → Water → Long-term	EF 3.1	kg	0
743ef94d-fe0d-41da-bdae-c72e15eb735e	Environmental → Water → Ocean	EF 3.1	kg	2
6954a7e3-c110-4406-989d-5b634bba85eb	Environmental → Water → Surface water	EF 3.1	kg	2
88f43078-6f42-40f9-b06b-26cf80fe4957	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (55 changes)

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Flow object JSON

{
  "flow_object_id": "fo-0ae9976d07871ac8",
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  ],
  "altLabel": [
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}

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1,1,3-trimethylcyclohexane

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

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