What is the NOAEL for Theobromine?
Theobromine has 40 NOAEL studies in the database. The lowest reported value is 396 uL/min/10^6 cells in Human. Source: NTP_ICE_adme_parameters.
NOAEL Data
IARC Group 3
REACH Registered
Cosmetic Ingredient
Theobromine
Also known as: 1H-Purine-2,6-dione, 3,7-dihydro-3,7-dimethyl-, 5-26-13-00553, BRN 0016464, EINECS 201-494-2, FEMA No. 3591 (+8 more)
CAS 83-67-0
Theobromine (CAS 83-67-0) is a chemical substance; key hazard signal: IARC Group 3. Key regulatory status: REACH registered, 7 regulatory/inventory lists, cosmetic ingredient cross-reference; source data from EPA ToxValDB, EPA CPDat, AICIS, IARC, ECHA REACH.
Cross-Vertical Regulatory Divergence
Theobromine is classified GHS Danger (H302, H319, H351, H341, H360, H370) in the chemicals database but is allowed in EU cosmetics.
SOURCE
Cross-vertical comparison
Cosmetics: ingredients.eu_status; Chemicals: ghs_classifications.signal_word/hazard_statement_code
SOURCE
noael studies public
NOAEL studies
40
SOURCE
chemical inventory jurisdictions
Regulatory lists
7
SOURCE
eu clp annex vi
GHS signal
Not classified
Chemical Identity
CAS, identifiers, formula, and alternate names for the matched substance record.
SOURCE
DSSTox identifiers
19 fields
Name
Theobromine
CAS Number
83-67-0
DTXSID
DTXSID9026132
Molecular Formula
C7H8N4O2
InChI Key
YAPQBXQYLJRXSA-UHFFFAOYSA-N
Monoisotopic Mass
180.064726
Synonyms
1H-Purine-2,6-dione, 3,7-dihydro-3,7-dimethyl-5-26-13-00553BRN 0016464EINECS 201-494-2FEMA No. 3591ThesodateXanthine, 3,7-dimethyl-UNII-OBD445WZ5P2,6-Dihydroxy-3,7-dimethyl-purine3,7-Dimethyl-xanthine3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione3,7-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
IARC Carcinogen Classification
Carcinogenic hazard classification from IARC monograph evaluations.
SOURCE
IARC Monographs on the Identification of Carcinogenic Hazards to Humans
1 records
| Group | Meaning | Evaluated | Volume |
|---|---|---|---|
| Group 3 | Not classifiable | 1990 | 51 |
Functional Uses
Industrial and product-use categories associated with this substance.
SOURCE
EPA CPDat
4 records
DeodorizerSoftener and conditionerFlavouring and nutrient
Regulatory Lists
Inventory, screening, and regulatory list matches from public chemical databases.
SOURCE
EPA CPDat
7 records
| List | Keyword | Source |
|---|---|---|
| active_ingredient; animal_products; Europe; pharmaceutical; residue | EU | CPCat |
| detected; MN Chemical Screening; surface_water | National Parks Service | State of Minnesota |
| detected; MN Chemical Screening; surface_water | NPS & EPA | State of Minnesota |
| Europe | European Commission | Fl@vis |
| food_additive; Substances Added to Food (formerly EAFUS) (2/2019) | FDA | United States Food and Drug Administration (FDA) |
| Canada; pharmaceutical | DrugBank | DrugBank |
| Canada; consumer_product; Substances in Products - Canada (4/2014) | Government of Canada | CPCat |
NOAEL Studies
Toxicology endpoints rendered from public NOAEL study rows.
SOURCE
NOAEL studies
Showing 40 of 40 studies
| Value | Unit | Endpoint | Route | Species | Source |
|---|---|---|---|---|---|
| 396 | uL/min/10^6 cells | Clint | - | Human | NTP_ICE_adme_parameters |
| OBD445WZ5P | UNII | FDA UNII substance identifier | - | - | openFDA substances |
| OBD445WZ5P | UNII | FDA UNII substance identifier | - | - | openFDA substances |
| OBD445WZ5P | UNII | FDA UNII substance identifier | - | - | openFDA substances |
| OBD445WZ5P | UNII | FDA UNII substance identifier | - | - | openFDA substances |
| 0.955 | fraction | Fu | - | Human | NTP_ICE_adme_parameters |
| 3 | IARC group | IARC carcinogenicity classification | - | - | IARC Monographs |
| 3 | unitless | IARC group | - | - | NTP_ICE_cancer |
| =950 | mg/kg bw | LD50 | oral | Rat | NTP_ICE_acute_oral |
| =1265 | mg/kg bw | LD50 | oral | Rat | NTP_ICE_acute_oral |
| 41 | mg/kg bw/day | LOAEL | oral | rabbit | COSMOS_DB |
| =110 | mg/kg bw/day | LOAEL | oral | Rat | ToxValDB_ECHA_IUCLID |
| 125 | mg/kg bw/day | LOAEL | oral | rabbit | COSMOS_DB |
| =144 | mg/kg bw/day | LOAEL | oral | Rat | ToxValDB_ECHA_IUCLID |
| =200 | mg/kg bw/day | LOAEL | oral | Rat | ToxValDB_ECHA_IUCLID |
| <=349 | mg/kg bw/day | LOAEL | oral | Rat | ToxValDB_ECHA_IUCLID |
| - | unitless | Model Score | - | - | NTP_ICE_endocrine |
| =7 | mg/kg bw/day | NOAEL | oral | Pig | ToxValDB_EFSA |
| =7 | mg/kg bw/day | NOAEL | oral: feed | Pig | EFSA_OpenFoodTox_EFSA_ReferencePoints.xlsx |
| 21 | mg/kg bw/day | NOAEL | oral | rabbit | COSMOS_DB |
| =21 | mg/kg bw/day | NOAEL | oral | Rabbit | ToxValDB_EFSA |
| =21 | mg/kg bw/day | NOAEL | - | Rabbit | EFSA_OpenFoodTox_EFSA_ReferencePoints.xlsx |
| ~35 | mg/kg bw/day | NOAEL | oral | Sheep | ToxValDB_EFSA |
| ca.35 | mg/kg bw/day | NOAEL | oral: feed | Sheep | EFSA_OpenFoodTox_EFSA_ReferencePoints.xlsx |
| 53 | mg/kg bw/day | NOAEL | oral | rat | COSMOS_DB |
| 75 | mg/kg bw/day | NOAEL | oral | rabbit | COSMOS_DB |
| 88.2 | mg/kg bw/day | NOAEL | oral | rabbit | COSMOS_DB |
| 110 | mg/kg bw/day | NOAEL | oral | rat | COSMOS_DB |
| <=126 | mg/kg bw/day | NOAEL | oral | Mouse | ToxValDB_ECHA_IUCLID |
| 144 | mg/kg bw/day | NOAEL | oral | rat | COSMOS_DB |
| 199 | mg/kg bw/day | NOAEL | oral | rat | COSMOS_DB |
| 250 | mg/kg bw/day | NOAEL | oral | rat | COSMOS_DB |
| 300 | mg/kg bw/day | NOAEL | oral | rat | COSMOS_DB |
| 375 | mg/kg bw/day | NOAEL | oral | mouse | COSMOS_DB |
| 500 | mg/kg bw/day | NOAEL | oral | rat | COSMOS_DB |
| 501 | mg/kg bw/day | NOAEL | oral | rat | COSMOS_DB |
| 518 | mg/kg bw/day | NOAEL | oral | rat | COSMOS_DB |
| 600 | mg/kg bw/day | NOAEL | oral | rat | COSMOS_DB |
| <630 | mg/kg bw/day | NOAEL | oral | Mouse | ToxValDB_ECHA_IUCLID |
| 638 | mg/kg bw/day | NOAEL | oral | syrian hamster | COSMOS_DB |
Showing 40 of 40 studies
REACH Registration
Registration status from the ECHA REACH registered substances database.
SOURCE
ECHA (EU)
1 records
| Status | Name | EC Number | Link |
|---|---|---|---|
| Registered | Theobromine | 201-494-2 | ECHA overview → |
Australian Status (AICIS)
Australian industrial chemicals inventory status and applicable conditions.
SOURCE
AICIS inventory
1 records
Inventory Status
listed
Cosmetic Safety Profile
Same-CAS cosmetic ingredient record for cross-vertical context.
SOURCE
CosIng / Ingredients DB
EU Status
permitted
Max
-
Category
Cosmetic Ingredient
Pharmaceutical Data
Same-CAS pharmaceutical records from drug and bioactivity sources.
SOURCE
EMBL-EBI ChEMBL
THEOBROMINE
ChEMBL Phase
3
Adverse Events
16
Bioactivity
4
Food Safety Data
Same-CAS food additive, ADI, and GRAS records where available.
SOURCE
EFSA / FDA GRAS
2 records
FDA GRAS: At the notifier's request, FDA ceased to evaluate this notice
View full food safety profile →Cannabis Data
Same-CAS cannabis compliance and lab records where available.
SOURCE
Cannabis regulatory / lab data
efsa substances
1 cannabis record found in efsa substances.
View full cannabis profile →Frequently Asked Questions
What regulatory lists include Theobromine?
Theobromine appears on 6 regulatory/inventory lists including active_ingredient; animal_products; Europe; pharmaceutical; residue, detected; MN Chemical Screening; surface_water, Europe, and 3 more. Source: EPA CPDat.
Is Theobromine a carcinogen according to IARC?
Theobromine is classified by IARC as Group 3 — not classifiable as to its carcinogenicity to humans (evaluated 1990). Source: IARC Monographs on the Identification of Carcinogenic Hazards to Humans.
Is Theobromine used in cosmetics?
Yes, Theobromine is also indexed as a cosmetic ingredient under the name Theobromine. View the full cosmetic safety profile on the ingredient page for detailed safety data, SCCS opinions, and regulatory status.
Where does the safety data for Theobromine come from?
Safety data is sourced from EPA ToxValDB, EPA CPDat, AICIS (Australian Industrial Chemicals Introduction Scheme), EPA DSSTox, IARC Monographs, ECHA REACH, CosIng / Ingredients DB, ChEMBL / DailyMed, EFSA / FDA GRAS, cannabis regulatory/lab databases. All data traces to primary regulatory sources and is updated from official government databases.
Does Theobromine have different safety status in cosmetics vs industrial chemicals?
Theobromine is classified GHS Danger (H302, H319, H351, H341, H360, H370) in the chemicals database but is allowed in EU cosmetics.
Is Theobromine used outside industrial chemicals?
Theobromine also appears in cosmetics, pharmaceutical, food safety, cannabis databases.