CaCl2

CHEBI:3312 chemically defined MAPPED CHEBI EXACT_MATCH

Ontology mapping

Primary identifier
CHEBI:3312
Ontology label
calcium dichloride
kg-microbe node
CHEBI:3312

Nutritional roles

Synonyms (12)

SynonymTypeSourceOccurrences
Calcium chloride anhydrous EXACT manual
Calcium chloride EXACT manual
anhydrous calcium chloride EXACT manual
Role: Mineral source; Properties: Defined component, Inorganic compound, Simple component RAW_TEXT CultureMech
Role: Mineral source; Properties: Defined component, Simple component, Inorganic compound RAW_TEXT CultureMech
Role: Mineral source; Properties: Inorganic compound, Defined component, Simple component RAW_TEXT CultureMech
Role: Mineral source; Properties: Inorganic compound, Simple component, Defined component RAW_TEXT CultureMech
Role: Mineral source; Properties: Simple component, Defined component, Inorganic compound RAW_TEXT CultureMech
CaCl .6H O EXACT_SYNONYM kg_microbe
[CaCl2] EXACT_SYNONYM kg_microbe
calcium dichloride EXACT_SYNONYM kg_microbe
CaCl 2 RAW_TEXT sssom_other_backfill

Rejected enrichment labels (9)

Provenance-only candidates: these are not synonyms and do not resolve to this record.

Rejected labelDispositionSourceOccurrences
CaCl2 x H2O REJECTED_LABEL merged_from_duplicate_mim_record
CaCl2 . 7H2O REJECTED_LABEL kg_microbe
CaCl2 x 7 H2O REJECTED_LABEL kg_microbe
CaCl2·H2O REJECTED_LABEL kg_microbe
CaCl2⋅7H2O REJECTED_LABEL kg_microbe
CaCl2・H2O REJECTED_LABEL kg_microbe
CaCl2 × 2 H2O REJECTED_LABEL MERGED_FROM Calcium Chloride (#414)
CaCl2*2H2O REJECTED_LABEL MERGED_FROM Calcium Chloride (#414)
CaCl22H2O REJECTED_LABEL MERGED_FROM Calcium Chloride (#414)

Chemical properties

Cas rn
10043-52-4
Data source
PubChem API
Retrieval date
2026-04-05T19:51:17.661164+00:00
Molecular formula
Ca.2Cl
Inchi
InChI=1S/Ca.2ClH/h;2*1H/q+2;;/p-2
Smiles
[Ca+2].[Cl-].[Cl-]

Evidence (1)

DATABASE_MATCH via CultureMech

Imported from CultureMech pipeline, quality=DIRECT_MATCH

Occurrence statistics

Total occurrences
1,052
Distinct media
1,052

Curation history

TimestampCuratorActionNew statusChanges
2026-03-09T06:54:18.022301+00:00 import_from_culturemech IMPORTED MAPPED Initial import from CultureMech pipeline
2026-04-05T19:51:17.661183+00:00 fetch_cas_rn_from_pubchem ADDED_CAS_RN MAPPED Added CAS-RN:10043-52-4 from PubChem API via name lookup (CaCl2)
2026-04-09T00:32:50.689620+00:00 enrich_mim_cas_rn_batch CAS_RN_ADDED MAPPED Added CAS-RN 10043-52-4 from PubChem (via CHEBI:3312)
2026-04-18T00:00:00+00:00 cbclaw_kg_microbe_sweep LLM ADDED_SYNONYMS MAPPED Added 3 synonyms from kg-microbe P4.4 enrichment: CaCl .6H O, [CaCl2], calcium dichloride
2026-04-18T00:00:00+00:00 cbclaw_kg_microbe_sweep LLM ADDED_SYNONYMS MAPPED Added 7 synonyms from kg-microbe P4.4 enrichment: CaCl2 . 7H2O, CaCl2 x 7 H2O, CaCl2·H2O, CaCl2⋅7H2O, CaCl2・H2O, ... (2 more)
2026-04-19T07:39:23.955331+00:00 audit_mim_merge MERGED_FROM_DUPLICATES MAPPED Absorbed 1 duplicate MIM record(s) into this one: Cacl2_X_H2o.yaml. Synonyms, curation_history, and occurrence counts were unioned/summed; winner selected by highest occurrence count with preferred_term readability tie-break.
2026-05-01T07:35:32.502848+00:00 auto_classify_ingredient_type AUTO_CLASSIFY_INGREDIENT_TYPE set ingredient_type=SINGLE_INGREDIENT (CHEBI primary)
2026-05-01T08:08:28.321461+00:00 auto_classify_ingredient_type AUTO_BACKFILL_CHEBI_CHEMISTRY molecular_formula=Ca.2Cl; inchi=InChI=1S/Ca.2ClH/h;2*1H/q+2;;/p-2; smiles=[Ca+2].[Cl-].[Cl-]
2026-05-02T03:12:12.959122+00:00 auto_classify_ingredient_type AUTO_CLASSIFY_INGREDIENT_TYPE set ingredient_type=SINGLE_INGREDIENT (chemical structure populated (molecular_formula))
2026-05-29T23:35:36.110322+00:00 extract_roles_from_synonyms ANNOTATED Added media role: MINERAL (confidence: 1.00)
2026-06-09T05:23:46.732971+00:00 correct_stale_ontology_labels.py CORRECTED ontology_label 'CaCl2' -> 'calcium dichloride': synced to canonical CHEBI label (preferred_term 'CaCl2' unchanged).
2026-07-20T00:00:00+00:00 migrate_media_roles_to_facets ANNOTATED Migrated legacy media_roles to role facets (#128): MINERAL -> nutritional_roles.MINERAL_SOURCE
2026-08-20T00:00:00+00:00 merge_identifier_collisions MERGED_FROM Absorbed 'Calcium Chloride' (#414). Both records held CHEBI:3312 while both were live, which MIM's own rule forbids — for a mapped record the identifier IS the ontology CURIE, so two live records on it assert that two ingredients are one thing. They are one thing: formula versus name for the same anhydrous salt; identical CAS 10043-52-4 and formula Ca.2Cl. Neither label mentions hydration, so this is not the hydrate/anhydrous trap that rules out the CuSO4 and FeSO4 families. 'CaCl2' wins as the label media actually use (502 occurrences against 15); the other survives as a RAW_TEXT synonym, so label_index still answers for it.
2026-08-27T03:16:39.518474+00:00 refresh_occurrence_statistics CORRECTED occurrence_statistics 75/517 -> 1052/1052 (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]
2026-09-02T17:40:44.716277+00:00 claude_sssom_surface_form_backfill ADDED_SYNONYMS Recovered 1 surface form(s) that the published SSSOM `other` carried but no curated record did, so a rebuild would have dropped them from KGX: 'CaCl 2'. Tokens already present on the kg-microbe ontology node were left out as redundant (#520).
2026-09-12T00:00:00+00:00 fix_malformed_hydrate_identities REJECTED_MALFORMED_HYDRATE_ALIASES MAPPED Marked malformed hydrate alias(es) as REJECTED_LABEL so they remain on their own #344 local identities only: 'CaCl2 . 7H2O', 'CaCl2 x 7 H2O', 'CaCl2⋅7H2O'.
2026-09-12T00:00:00+00:00 reject_hidden_hydrate_synonym_collapses REJECTED_HIDDEN_HYDRATE_SYNONYMS MAPPED Marked hidden hydrate synonym(s) as REJECTED_LABEL so this record no longer resolves sibling hydrate identities (#251): 'CaCl2 x H2O', 'CaCl2·H2O', 'CaCl2・H2O', 'CaCl2 × 2 H2O', 'CaCl2*2H2O', 'CaCl22H2O'.