3,3,5-trimethylcyclohexanone
fo-c5d0f0044ae41831
Identity
- Type
- Neutral molecule
- CAS
- 873-94-9
- EC
- 212-855-9
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 53 across every transformer
Structure
Alternative labels
5- (±)-3,3,5-Trimethylcyclohexanone
- (±)-Dihydroisophorone
- 3,3,5-Trimethyl-1-cyclohexanone
- Cyclohexanone, 3,3,5-trimethyl-
- Dihydroisophorone
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | POSWICCRDBKBMH-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C9H16O/c1-7-4-8(10)6-9(2,3)5-7/h7H,4-6H2,1-3H3 |
| IUPAC name chemrof:IUPAC_name | 3,3,5-trimethylcyclohexanone |
| Molecular formula chemrof:molecular_formula | C9H16O |
| Molecular mass chemrof:molecular_mass | 140.226 |
| Monoisotopic mass chemrof:monoisotopic_mass | 140.120115 |
| SMILES string chemrof:smiles_string | CC1CC(=O)CC(C)(C)C1 |
Known URLs
8Where 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=873-94-9 | enrich_references.consensus_cas_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.011.687 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID5044996 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3186483 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/QXG9U7N202 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J68.885A | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/13398 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q27287551 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| d215b32b-2464-4957-bb83-f57fbb974bd3 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| 87a62f55-3474-4d50-aa37-5a7f664894b9 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| d84e9af3-0d92-4123-8d9c-a37d4990660f | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| 9ad50477-ad28-41e8-83a6-2f70d6a01720 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 5705680b-ca37-4d2c-920f-29e377b9345f | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| 38231f8b-5fcd-49a2-b1fe-7a82475a91e2 | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| e7b064de-dcc8-4d69-9ea5-ebef58b6e762 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| 7a80c55b-b92c-4815-b9b8-fa198bd20e34 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| a1570970-925f-41fd-a729-9999fbda4ee8 | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| 63494248-21e7-4851-9c2c-779cd98cfeef | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 5d48af86-ff8b-4e09-b5cc-8e2f2c82db7b | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| dbb1d50d-c49b-4a5c-bda2-4f4f190d0c51 | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| fa787417-a06d-490e-b26e-df259d4b95a7 | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (53 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