Ontology mapping
- Primary identifier
-
CHEBI:82163 - Ontology label
- rac-1,2-dichloropropane
Synonyms (2)
| Synonym | Type | Source | Occurrences |
|---|---|---|---|
| 2-dichloropropane | RAW_TEXT | microbedecoder | |
| 1,2--Dichloropropane (10 mg/ml in methanol) | RAW_TEXT | culturemech:output/ingredient_occurrences.tsv |
Chemical properties
- Cas rn
- 78-87-5
- Data source
- PubChem API
- Retrieval date
- 2026-04-05T19:50:49.018220+00:00
- Molecular formula
- C3H6Cl2
- Inchi
- InChI=1S/C3H6Cl2/c1-3(5)2-4/h3H,2H2,1H3
- Smiles
- CC(Cl)CCl
Evidence (2)
DATABASE_MATCH
via CultureMech
Imported from CultureMech pipeline, quality=DIRECT_MATCH
DATABASE_MATCH
via MIM curation (#320)
identifier/ontology_id CHEBI:142468 ('1,2-dichloropropane') -> CHEBI:82163 ('rac-1,2-dichloropropane'). The record's own cas_rn 78-87-5 is registered by ChEBI against CHEBI:82163, which is the racemate of the term the record previously carried. Curation decision on #320: where the CAS names a more specific FORM than the label, the CAS governs — the recipe is taken to mean the substance actually weighed out. These surfaced as 'unrelated' in the ancestry triage only because ChEBI does not model salt-of / hydrate-of / racemate-of as subsumption, the same gap #342 recorded for hydrates.
Occurrence statistics
- Total occurrences
- 2
- Distinct media
- 2
Curation history
| Timestamp | Curator | Action | New status | Changes |
|---|---|---|---|---|
| 2026-03-09T06:54:18.022301+00:00 | import_from_culturemech | IMPORTED | MAPPED | Initial import from CultureMech pipeline |
| 2026-04-05T19:50:49.018228+00:00 | fetch_cas_rn_from_pubchem | ADDED_CAS_RN | MAPPED | Added CAS-RN:78-87-5 from PubChem API via name lookup (1,2-Dichloropropane) |
| 2026-05-01T07:35:31.674178+00:00 | auto_classify_ingredient_type | AUTO_CLASSIFY_INGREDIENT_TYPE | set ingredient_type=SINGLE_INGREDIENT (CHEBI primary) | |
| 2026-05-01T08:08:27.471143+00:00 | auto_classify_ingredient_type | AUTO_BACKFILL_CHEBI_CHEMISTRY | molecular_formula=C3H6Cl2; inchi=InChI=1S/C3H6Cl2/c1-3(5)2-4/h3H,2H2,1H3; smiles=CC(Cl)CCl | |
| 2026-05-02T03:12:11.779094+00:00 | auto_classify_ingredient_type | AUTO_CLASSIFY_INGREDIENT_TYPE | set ingredient_type=SINGLE_INGREDIENT (chemical structure populated (molecular_formula)) | |
| 2026-06-09T05:23:46.705123+00:00 | correct_stale_ontology_labels.py | CORRECTED | ontology_label '1,2-Dichloropropane' -> '1,2-dichloropropane': synced to canonical CHEBI label (preferred_term '1,2-Dichloropropane' unchanged). | |
| 2026-08-05T00:01:30.894952+00:00 | microbedecoder-residual-dispositions LLM | MERGED_FROM_UNMAPPED_DUPLICATE | Absorbed UNMAPPED_0784 '2-dichloropropane' as a RAW_TEXT synonym -- dropped-locant duplicate of 1,2-dichloropropane. No new SSSOM row; CHEBI:142468 is already mapped. Source: kgmicrobe.trait:2_dichloropropane. | |
| 2026-08-13T00:00:00+00:00 | reground_cas_specific_form | REGROUNDED_TO_CAS_SPECIFIC_FORM | identifier/ontology_id CHEBI:142468 -> CHEBI:82163 'rac-1,2-dichloropropane' (#320); the record's CAS 78-87-5 denotes the racemate. mapping_quality -> SYNONYM_MATCH. | |
| 2026-08-27T03:16:39.518232+00:00 | refresh_occurrence_statistics | CORRECTED | occurrence_statistics 1/1 -> 2/2 (media_count/total_occurrences), derived from distinct CultureMech recipe ids in the #337 occurrence table. The prior values came from the importer retired in #453, whose media_count counted a list truncated to 50 examples (#449). [source=ingredient_occurrences.tsv culturemech_rev=15a4da5c08 rows=194137 distinct_recipes=15257] | |
| 2026-08-30T04:48:06.233536+00:00 | claude_culturemech_alias_backfill | ADDED_SYNONYMS | Added 1 CultureMech recipe surface form(s) that folded onto this record's published label but were absent from MIM's label index, so CultureMech could not resolve them: '1,2--Dichloropropane (10 mg/ml in methanol)' (x1 CultureMech mentions). Source: culturemech:output/ingredient_occurrences.tsv. |