3,3,5-trimethylcyclohexanol
fo-b55d8cb8d36aca7e
Identity
- Type
- Neutral molecule
- CAS
- 116-02-9
- EC
- 204-122-7
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 56 across every transformer
Structure
Alternative labels
7- 1-Methyl-3-dimethyl-cyclohexanol-5
- 3,3,5-trimethyl-1-cyclohexanol
- 3,5,5-Trimethylcyclohexanol
- Cyclohexanol, 3,3,5-trimethyl-
- Cyclonol
- dihydroisophorol
- homomenthol
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | BRRVXFOKWJKTGG-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C9H18O/c1-7-4-8(10)6-9(2,3)5-7/h7-8,10H,4-6H2,1-3H3 |
| IUPAC name chemrof:IUPAC_name | 3,3,5-trimethylcyclohexanol |
| Molecular formula chemrof:molecular_formula | C9H18O |
| Molecular mass chemrof:molecular_mass | 142.242 |
| Monoisotopic mass chemrof:monoisotopic_mass | 142.135765, 142.13577 |
| SMILES string chemrof:smiles_string | CC1CC(O)CC(C)(C)C1 |
Known URLs
17Where 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=116-02-9 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:59065 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.003.748 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.011.075 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID9041815 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=4008 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3186608 | enrich_references.pubchem_identifier_url |
| femaflavor.org | https://www.femaflavor.org/flavor-library/355-trimethylcyclohexanol | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0029557 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J46.555K | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=43902 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/8298 | enrich_references.pubchem_compound |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/3768035 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/6681959 | enrich_references.chebi_xrefs |
| reaxys | reaxys:2203314 | enrich_references.chebi_xrefs |
| Wikidata | https://www.wikidata.org/wiki/Q27126431 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/3,3,5-Trimethylcyclohexanol | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 7a4502cd-7278-4124-89d6-65a3ac6e6a0a | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| b7a79f48-594d-4b46-93e1-e51a8cb01d9d | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| 36148ea7-b0e9-4f09-8205-6e2a3db19bb6 | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| 92fe206e-73f6-444b-b7f5-18ee2ed64550 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 01fef968-1091-461a-8672-a63907eb4cb3 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| 9fa4a52f-aefe-4156-85be-c28b8b954039 | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| ccc41051-3127-4585-af5f-acfb770d41b8 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| a4f5f7ca-eeb0-41b0-9687-011a6986de57 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| b097d98e-907e-45e4-b2e4-d7db7f6eeddd | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| fe093111-2969-4e2e-be44-f7f5cc5f57b9 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 2c84d72b-d5a1-4b3d-bfcc-616f8d834ecf | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| fb4acbe0-8336-40a5-ab4e-671d2d7f1831 | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| 19f8ae8f-2727-471c-a852-3d5723c0ac80 | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (56 changes)
Full record
Flow object JSON
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}Something wrong here?
- This substance is published under the wrong name
- This is not that chemical
- This record is two substances, or it is a second copy of one
You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works