Danger GHS08 NOAEL Data IARC Group 3 REACH Registered Cosmetic Ingredient

Theophylline

Also known as: 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-, 1H-Purine-2,6-dione, 3,9-dihydro-1,3-dimethyl-, EINECS 200-385-7, Purine-2,6(1H,3H)-dione, 1,3-dimethyl-, Theophylline, anhydrous (+15 more)

CAS 58-55-9

Theophylline (CAS 58-55-9) is a chemical substance with GHS signal word Danger; key hazard signal: H360D. Key regulatory status: REACH registered, 9 regulatory/inventory lists, cosmetic ingredient cross-reference; source data from ECHA CLP, EPA ToxValDB, EPA CPDat, IARC, ECHA REACH, ILO ICSC.

View cosmetic safety profile for Theophylline →

Cross-Vertical Regulatory Divergence

Theophylline is prohibited in EU cosmetics but has active industrial GHS classifications (H360D).

SOURCE Cross-vertical comparison Cosmetics: ingredients.eu_status; Chemicals: eu_clp_annex_vi.signal_word/hazard_statement_code

SOURCE noael studies public

NOAEL studies

SOURCE chemical inventory jurisdictions

Regulatory lists

SOURCE eu clp annex vi

GHS signal

Danger

Chemical Identity

CAS, identifiers, formula, and alternate names for the matched substance record.

SOURCE DSSTox identifiers 26 fields

Name

Theophylline

CAS Number

58-55-9

DTXSID

DTXSID5021336

Molecular Formula

C7H8N4O2

InChI Key

ZFXYFBGIUFBOJW-UHFFFAOYSA-N

Monoisotopic Mass

180.064726

Synonyms

1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-1H-Purine-2,6-dione, 3,9-dihydro-1,3-dimethyl-EINECS 200-385-7Purine-2,6(1H,3H)-dione, 1,3-dimethyl-Theophylline, anhydrousXanthine, 1,3-dimethyl-TheodurUNII-0I55128JYK1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione1,3-dimethyl-7H-purine-2,6-dioneAcet-theocinAerolate III

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

GHS / CLP Classification

EU harmonized hazard classification, hazard statements, pictograms, and signal word.

SOURCE EU CLP Annex VI (ECHA) 1 classifications

Hazard Class	H-Statements	Pictograms	Signal
Repr. 1B	H360D	GHS08	Danger

ICSC Chemical Safety

International Chemical Safety Card hazard and exposure summary.

SOURCE ILO/WHO International Chemical Safety Cards 1 records

Field	Value
GHS Signal Word	DANGER
GHS Hazard Statements	Toxic if swallowed May be harmful if inhaled May cause harm to breast-fed children Causes damage to vascular system and kidneys Causes damage to the kidneys through prolonged or repeated exposure
Short-term Effects	The substance may cause effects on the heart and central nervous system. This may result in cardiac dysrhythmia and convulsions. The effects may be delayed.
Routes of Exposure	The substance can be absorbed into the body in hazardous amounts by ingestion.

Functional Uses

Industrial and product-use categories associated with this substance.

SOURCE EPA CPDat 3 records

HumectantSoftener and conditionerPharmaceutical

Regulatory Lists

Inventory, screening, and regulatory list matches from public chemical databases.

SOURCE EPA CPDat 9 records

List	Keyword	Source
active_ingredient; Australia	Australian Pesticides and Veterinary Medicines Authority	CPCat
active_ingredient; animal_products; Europe; pharmaceutical; residue	EU	CPCat
Europe; pharmaceutical	Drinking Water Inspectorate	CPCat
detected; Europe; surface_water; wastewater	Drinking Water Inspectorate	CPCat
detected; MN Chemical Screening; pharmaceutical; surface_water	Minnesota Pollution Control Agency	State of Minnesota
detected; MN Chemical Screening; surface_water	Minnesota Pollution Control Agency	State of Minnesota
detected; MN Chemical Screening; pharmaceutical; surface_water	Minnesota Pollution Control Agency	State of Minnesota
detected; MN Chemical Screening; surface_water	NPS & EPA	State of Minnesota
Canada; pharmaceutical	DrugBank	DrugBank

NOAEL Studies

Toxicology endpoints rendered from public NOAEL study rows.

SOURCE NOAEL studies Showing 47 of 47 studies

Value	Unit	Endpoint	Route	Species	Source
0.7788	uL/min/10^6 cells	Clint	-	Human	NTP_ICE_adme_parameters
=0.54	mg/m3	DNEL systemic	inhalation	Human	ToxValDB_GESTIS_DNEL
0I55128JYK	UNII	FDA UNII substance identifier	-	-	openFDA substances
0I55128JYK	UNII	FDA UNII substance identifier	-	-	openFDA substances
0I55128JYK	UNII	FDA UNII substance identifier	-	-	openFDA substances
0I55128JYK	UNII	FDA UNII substance identifier	-	-	openFDA substances
0.61	fraction	Fu	-	Human	NTP_ICE_adme_parameters
3	IARC group	IARC carcinogenicity classification	-	-	IARC Monographs
3	unitless	IARC group	-	-	NTP_ICE_cancer
=7.5	mg/kg bw/day	LEL	oral	rat (fischer; Fischer 344)	ToxRefDB_ToxRefDB_v3_pod.csv
=25	mg/kg bw/day	LEL	oral	Mouse	ToxValDB_ToxRefDB
=25	mg/kg bw/day	LEL	oral	mouse (b6c3f1; B6C3F1)	ToxRefDB_ToxRefDB_v3_pod.csv
=75	mg/kg bw/day	LEL	oral	rat (fischer; Fischer 344)	ToxRefDB_ToxRefDB_v3_pod.csv
=125	mg/kg bw/day	LEL	oral	Rat	ToxValDB_ToxRefDB
=125	mg/kg bw/day	LEL	oral	rat (fischer; Fischer 344)	ToxRefDB_ToxRefDB_v3_pod.csv
=150	mg/kg bw/day	LEL	oral	mouse (b6c3f1; B6C3F1)	ToxRefDB_ToxRefDB_v3_pod.csv
=175	mg/kg bw/day	LEL	oral	Mouse	ToxValDB_ToxRefDB
=175	mg/kg bw/day	LEL	oral	mouse (b6c3f1; B6C3F1)	ToxRefDB_ToxRefDB_v3_pod.csv
=225	mg/kg bw/day	LEL	oral	Mouse	ToxValDB_ToxRefDB
=225	mg/kg bw/day	LEL	oral	mouse (b6c3f1; B6C3F1)	ToxRefDB_ToxRefDB_v3_pod.csv
=300	mg/kg bw/day	LEL	oral	Mouse	ToxValDB_ToxRefDB
=300	mg/kg bw/day	LEL	oral	mouse (b6c3f1; B6C3F1)	ToxRefDB_ToxRefDB_v3_pod.csv
~7.5	mg/kg bw/day	LOAEL	oral	Rat	ToxValDB_ECHA_IUCLID
=37.5	mg/kg bw/day	LOAEL	oral	Rat	ToxValDB_ECHA_IUCLID
=75	mg/kg bw/day	LOAEL	oral	Rat	ToxValDB_ECHA_IUCLID
=126	mg/kg bw/day	LOAEL	oral	Mouse	ToxValDB_ECHA_IUCLID
=150	mg/kg bw/day	LOAEL	oral	Rat	ToxValDB_ToxRefDB
=150	mg/kg bw/day	LOAEL	oral	rat (fischer; Fischer 344)	ToxRefDB_ToxRefDB_v3_pod.csv
=175	mg/kg bw/day	LOAEL	oral	Mouse	ToxValDB_ECHA_IUCLID
=225	mg/kg bw/day	LOAEL	oral	Mouse	ToxValDB_ECHA_IUCLID
=100	mg/L	LOEL	environmental	Rat	ToxValDB_ECOTOX
-	unitless	Model Score	-	-	NTP_ICE_endocrine
>-	mg/kg bw/day	NEL	oral	rat (fischer; Fischer 344)	ToxRefDB_ToxRefDB_v3_pod.csv
=7.5	mg/kg bw/day	NEL	oral	mouse (b6c3f1; B6C3F1)	ToxRefDB_ToxRefDB_v3_pod.csv
=37.5	mg/kg bw/day	NEL	oral	rat (fischer; Fischer 344)	ToxRefDB_ToxRefDB_v3_pod.csv
=50	mg/kg bw/day	NEL	oral	mouse (b6c3f1; B6C3F1)	ToxRefDB_ToxRefDB_v3_pod.csv
=150	mg/kg bw/day	NEL	oral	mouse (b6c3f1; B6C3F1)	ToxRefDB_ToxRefDB_v3_pod.csv
~7.5	mg/kg bw/day	NOAEL	oral	Mouse	ToxValDB_ECHA_IUCLID
=30	mg/kg bw/day	NOAEL	injection	Rabbit	ToxValDB_ECHA_IUCLID
~50	mg/kg bw/day	NOAEL	oral	Mouse	ToxValDB_ECHA_IUCLID
>=75	mg/kg bw/day	NOAEL	oral	Mouse	ToxValDB_ECHA_IUCLID
=124	mg/kg bw/day	NOAEL	oral	Rat	ToxValDB_ECHA_IUCLID
>=150	mg/kg bw/day	NOAEL	oral	Mouse	ToxValDB_ECHA_IUCLID
~282	mg/kg bw/day	NOAEL	oral	Mouse	ToxValDB_ECHA_IUCLID
<37.5	mg/kg bw/day	NOEL	oral	Rat	ToxValDB_HESS
75	mg/kg	Top dose	Gavage; Dosed feed	Rat	NTP_ICE_cancer
150	mg/kg	Top dose	Gavage; Dosed feed	Mouse	NTP_ICE_cancer

Showing 47 of 47 studies

REACH Registration

Registration status from the ECHA REACH registered substances database.

SOURCE ECHA (EU) 1 records

Status	Name	EC Number	Link
Registered	Theophylline	200-385-7	ECHA overview →

Cosmetic Safety Profile

Same-CAS cosmetic ingredient record for cross-vertical context.

SOURCE CosIng / Ingredients DB

EU Status

prohibited

Max

Pharmaceutical Data

Same-CAS pharmaceutical records from drug and bioactivity sources.

SOURCE EMBL-EBI ChEMBL THEOPHYLLINE ANHYDROUS

ChEMBL Phase

Adverse Events

728

Bioactivity

View full pharmaceutical profile →

Frequently Asked Questions

What is the GHS hazard classification for Theophylline?

Theophylline (CAS 58-55-9) is classified under EU CLP Annex VI as Repr. 1B with signal word Danger. Hazard statements: H360D. Source: EU CLP Annex VI (ECHA).

What is the NOAEL for Theophylline?

Theophylline has 47 NOAEL studies in the database. The lowest reported value is 0.54 mg/m3 via inhalation in Human. Source: ToxValDB_GESTIS_DNEL.

What regulatory lists include Theophylline?

Theophylline appears on 7 regulatory/inventory lists including active_ingredient; Australia, active_ingredient; animal_products; Europe; pharmaceutical; residue, Europe; pharmaceutical, and 4 more. Source: EPA CPDat.

Is Theophylline a carcinogen according to IARC?

Theophylline 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 Theophylline used in cosmetics?

Yes, Theophylline is also indexed as a cosmetic ingredient under the name Theophylline. 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 Theophylline come from?

Safety data is sourced from ECHA CLP Annex VI, EPA ToxValDB, EPA CPDat, EPA DSSTox, IARC Monographs, ECHA REACH, ILO/WHO ICSC, CosIng / Ingredients DB, ChEMBL / DailyMed. All data traces to primary regulatory sources and is updated from official government databases.

Does Theophylline have different safety status in cosmetics vs industrial chemicals?

Theophylline is prohibited in EU cosmetics but has active industrial GHS classifications (H360D).

Is Theophylline used outside industrial chemicals?

Theophylline also appears in cosmetics, pharmaceutical databases.