Chemical Safety Data Sheet MSDS / SDS

Theophylline

Revision Date:2026-03-28Revision Number:1

SECTION 1: Identification of the substance/mixture and of the company/undertaking

Product identifier

  • Product name: Theophylline
  • CBnumber: CB4285388
  • CAS: 58-55-9
  • EINECS Number: 200-385-7
  • Synonyms: Theophylline,theophyline

Relevant identified uses of the substance or mixture and uses advised against

  • Relevant identified uses: For R&D use only. Not for medicinal, household or other use.
  • Uses advised against: none

Company Identification

  • Company: Chemicalbook
  • Address: Building 1, Huihuang International, Shangdi 10th Street, Haidian District, Beijing
  • Telephone: 010-86108875

SECTION 2: Hazards identification

GHS Label elements, including precautionary statements

  • Symbol(GHS)
  • Signal wordDanger
Precautionary statements
P501 Dispose of contents/container to..…
P405 Store locked up.
P301+P310 IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.
P270 Do not eat, drink or smoke when using this product.
P264 Wash skin thouroughly after handling.
Hazard statements
H301 Toxic if swalloed

SECTION 3: Composition/information on ingredients

Substance

  • Product name: Theophylline
  • Synonyms: Theophylline,theophyline
  • CAS: 58-55-9
  • EC number: 200-385-7
  • MF: C7H8N4O2
  • MW: 180.16

SECTION 4: First aid measures

4.1 Description of first-aid measures

General advice
First aiders need to protect themselves. Show this material safety data sheet to the doctor in attendance.
If inhaled
After inhalation: fresh air. Immediately call in physician. If breathing stops: immediately apply artificial respiration, if necessary also oxygen.
In case of skin contact
In case of skin contact: Take off immediately all contaminated clothing. Rinse skin with water/ shower. Call a physician immediately.
In case of eye contact
After eye contact: rinse out with plenty of water. Call in ophthalmologist. Remove contact lenses.
If swallowed
After swallowing: fresh air. Make victim drink ethanol (e.g. 1 drinking glass of a 40% alcoholic beverage). Call a doctor immediately (mention methanol ingestion). Only in exceptional cases, if no medical care is available within one hour, induce vomiting (only in fully conscious persons) and make victim drink ethanol again (approx. 0.3 ml of a 40% alcoholic beverage/kg body weight/hour).

4.2 Most important symptoms and effects, both acute and delayed

The most important known symptoms and effects are described in the labelling (see section 2) and/or in section 11

4.3 Indication of any immediate medical attention and special treatment needed

No data available

4.4 Notes to physician

No data available

SECTION 5: Firefighting measures

5.1 Extinguishing media

Suitable extinguishing media
Foam Carbon dioxide (CO2) Dry powder
Unsuitable extinguishing media
For this substance/mixture no limitations of extinguishing agents are given.

5.2 Special hazards arising from the substance or mixture

Carbon oxides
Combustible.
Pay attention to flashback.
Vapors are heavier than air and may spread along floors.
Development of hazardous combustion gases or vapours possible in the event of fire.
Forms explosive mixtures with air at ambient temperatures.

5.3 Advice for firefighters

Stay in danger area only with self-contained breathing apparatus. Prevent skin contact by keeping a safe distance or by wearing suitable protective clothing.
Remove container from danger zone and cool with water. Prevent fire extinguishing water from contaminating surface water or the ground water system.

NFPA 704

2
0
0
HEALTH 2 Intense or continued but not chronic exposure could cause temporary incapacitation or possible residual injury (e.g. diethyl ether, ammonium phosphate, iodine)
FIRE 0 Materials that will not burn under typical fire conditions, including intrinsically noncombustible materials such as concrete, stone, and sand. Materials that will not burn in air when exposed to a temperature of 820 °C (1,500 °F) for a period of 5 minutes.(e.g. Carbon tetrachloride)
REACT 0 Normally stable, even under fire exposure conditions, and is not reactive with water (e.g. helium,N2)
SPEC. HAZ.

SECTION 6: Accidental release measures

6.1 Personal precautions, protective equipment and emergency procedures

Advice for non-emergency personnel: Do not breathe vapors, aerosols. Avoid substance contact. Ensure adequate ventilation. Keep away from heat and sources of ignition.
Evacuate the danger area, observe emergency procedures, consult an expert.
For personal protection see section 8.

6.2 Environmental precautions

Do not let product enter drains. Risk of explosion.

6.3 Methods and materials for containment and cleaning up

Cover drains. Collect, bind, and pump off spills. Observe possible material restrictions (see sections 7 and 10). Take up carefully with liquid-absorbent material (e.g.
Chemizorb®). Dispose of properly. Clean up affected area.

6.4 Reference to other sections

For disposal see section 13.

SECTION 7: Handling and storage

7.1 Precautions for safe handling

Advice on safe handling
Work under hood. Do not inhale substance/mixture. Avoid generation of vapours/aerosols.
Advice on protection against fire and explosion
Keep away from open flames, hot surfaces and sources of ignition.Take precautionary measures against static discharge.
Hygiene measures
Immediately change contaminated clothing. Apply preventive skin protection. Wash hands and face after working with substance.
For precautions see section 2.2.

7.2 Conditions for safe storage, including any incompatibilities

Storage conditions
Keep container tightly closed in a dry and well-ventilated place. Keep away from heat and sources of ignition. Keep locked up or in an area accessible only to qualified or authorized persons.
Storage stabilityRecommended storage temperature
2 - 8 °C
Storage class
Storage class (TRGS 510): 3: Flammable liquids

SECTION 8: Exposure controls/personal protection

8.1 Control parameters

Ingredients with workplace control parameters
['Component', 'CAS-No.', 'Value', 'Control\nparameters', 'Basis']['Methanol', '67-56-1', 'PC-TWA', '25 mg/m3', 'Occupational exposure limits for\nhazardous agents in the\nworkplace - Chemical\nhazardous agents.']['', 'Remarks', 'Skin', None, None]['', '', 'PC-STEL', '50 mg/m3', 'Occupational exposure limits for\nhazardous agents in the\nworkplace - Chemical\nhazardous agents.']['', '', 'Skin', None, None]
Biological occupational exposure limits
['Component', 'CAS-No.', 'Parameters', 'Value', 'Biological\nspecimen', 'Basis']['Methanol', '67-56-1', 'Methanol', '15 mg/l', 'Urine', 'ACGIH -\nBiological\nExposure Indices\n(BEI)']['', 'Remarks', 'End of shift (As soon as possible after exposure ceases)', None, None, None]

8.2 Exposure controls

Appropriate engineering controls
Immediately change contaminated clothing. Apply preventive skin protection. Wash hands and face after working with substance.
Personal protective equipment
Eye/face protection
Use equipment for eye protection tested and approved under appropriate government standards such as NIOSH (US) or EN 166(EU). Safety glasses
Skin protection
Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique (without touching glove's outer surface) to avoid skin contact with this product. Dispose of contaminated gloves after use in accordance with applicable laws and good laboratory practices. Wash and dry hands.
The selected protective gloves have to satisfy the specifications of Regulation (EU) 2016/425 and the standard EN 374 derived from it.
Full contact
Material: butyl-rubber
Minimum layer thickness: 0.3 mm
Break through time: 480 min
Material tested:Butoject® (KCL 897 / Aldrich Z677647, Size M)
Splash contact
Material: Nitrile rubber
Minimum layer thickness: 0.4 mm
Break through time: 30 min
Material tested:Camatril® (KCL 730 / Aldrich Z677442, Size M) data source: KCL GmbH, D-36124 Eichenzell, phone +49 (0)6659 87300, e-mail sales@kcl.de, test method: EN374
If used in solution, or mixed with other substances, and under conditions which differ from EN 374, contact the supplier of the EC approved gloves. This recommendation is advisory only and must be evaluated by an industrial hygienist and safety officer familiar with the specific situation of anticipated use by our customers. It should not be construed as offering an approval for any specific use scenario.
Body Protection
Flame retardant antistatic protective clothing.
Respiratory protection
required when vapours/aerosols are generated.
Our recommendations on filtering respiratory protection are based on the following standards: DIN EN 143, DIN 14387 and other accompanying standards relating to the used respiratory protection system.
Control of environmental exposure
Do not let product enter drains. Risk of explosion.

SECTION 9: Physical and chemical properties

Information on basic physicochemical properties

  • a) Physical stateliquid
  • b) Colorwhite
  • c) OdorNo data available
  • d) Melting point/freezing pointNo data available
  • e) Initial boiling point and boiling range64 - 65 °C at 1.013 hPa
  • f) Flammability (solid, gas)No data available
  • g) Upper/lower flammability or explosive limitsUpper explosion limit: 36 %(V)
    Lower explosion limit: 6 %(V)
  • h) Flash point9.7 °C - closed cup
  • i) Autoignition temperatureNo data available
  • j) Decomposition temperatureNo data available
  • k) pHNo data available
  • l) ViscosityViscosity, kinematic: No data available
    Viscosity, dynamic: No data available
  • m) Water solubility8.3 g/L (20 ºC)
  • n) Partition coefficient n-octanol/waterNo data available
  • o) Vapor pressureNo data available
  • p) Density0.791 g/cm3 at 20 °C
  • Relative density1.3640 (rough estimate)
  • q) Relative vapor densityNo data available
  • r) Particle characteristicsNo data available
  • s) Explosive propertiesNot classified as explosive.
  • t) Oxidizing propertiesnone
  • Solubility0.1 M HCl: soluble

9.2 Other safety information

No data available

SECTION 10: Stability and reactivity

10.1 Chemical stability

The product is chemically stable under standard ambient conditions (room temperature) .

10.2 Possibility of hazardous reactions

No data available

10.3 Conditions to avoid

Warming.

10.4 Incompatible materials

Acids, Oxidizing agents, Alkali metals, Strong oxidizing agents, Strong acids, Acid chlorides,
Acid anhydrides, Reducing agents, Strong reducing agents, Phosphorus halides

10.5 Hazardous decomposition products

In the event of fire: see section 5

SECTION 11: Toxicological information

11.1 Information on toxicological effects

Mixture Acute toxicity
Oral: No data available
Acute toxicity estimate Inhalation - 4 h - 3.1 mg/l - vapor(Calculation method)
Acute toxicity estimate Dermal - 300.4 mg/kg (Calculation method)
Skin corrosion/irritation
Classified based on available data. For more details, see section 2
Serious eye damage/eye irritation
Classified based on available data. For more details, see section 2
Respiratory or skin sensitization
Classified based on available data. For more details, see section 2
Germ cell mutagenicity
Classified based on available data. For more details, see section 2
Carcinogenicity
Classified based on available data. For more details, see section 2
Reproductive toxicity
May harm the unborn child.
May impair fertility.
Specific target organ toxicity - single exposure
Mixture causes damage to organs. - Eyes, Central nervous system
Specific target organ toxicity - repeated exposure
Classified based on available data. For more details, see section 2
Aspiration hazard
Classified based on available data. For more details, see section 2

11.2 Additional Information

To the best of our knowledge, the chemical, physical, and toxicological properties have not been thoroughly investigated.
Methyl alcohol may be fatal or cause blindness if swallowed., Cannot be made non- poisonous., Effects due to ingestion may include:, Nausea, Headache, Vomiting,
Gastrointestinal disturbance, Dizziness, Weakness, Confusion.
Other dangerous properties can not be excluded.
Handle in accordance with good industrial hygiene and safety practice.
Components Methanol
Acute toxicity
Acute toxicity estimate Oral - 100.1 mg/kg (Expert judgment)
Remarks: Classified according to Regulation (EU) 1272/2008, Annex VI (Table 3.1/3.2)
Symptoms: Nausea, Vomiting
Acute toxicity estimate Inhalation - 4 h - 3.1 mg/l - vapor (Expert judgment)
Remarks: Classified according to Regulation (EU) 1272/2008, Annex VI (Table 3.1/3.2)
Symptoms: Irritation symptoms in the respiratory tract.
Acute toxicity estimate Dermal - 300.1 mg/kg (Expert judgment)
Remarks: Classified according to Regulation (EU) 1272/2008, Annex VI (Table 3.1/3.2)
Skin corrosion/irritation
Skin - Rabbit
Result: No skin irritation
Remarks: (ECHA)
Remarks: Drying-out effect resulting in rough and chapped skin.
Serious eye damage/eye irritation
Eyes - Rabbit
Result: No eye irritation
Remarks: (ECHA)
Respiratory or skin sensitization
Sensitisation test: - Guinea pig
Result: negative (OECD Test Guideline 406)
Germ cell mutagenicity
Based on available data the classification criteria are not met.
Test Type: Ames test
Test system: Salmonella typhimurium
Result: negative
Test Type: In vitro mammalian cell gene mutation test
Test system: Chinese hamster lung cells
Result: negative
Method: OECD Test Guideline 474
Species: Mouse - male and female - Bone marrow
Result: negative
Carcinogenicity
Did not show carcinogenic effects in animal experiments.
Reproductive toxicity
Based on available data the classification criteria are not met.
Specific target organ toxicity - single exposure
Causes damage to organs. - Eyes, Central nervous system
Remarks: Classified according to Regulation (EU) 1272/2008, Annex VI (Table 3.1/3.2)
Acute oral toxicity - Nausea, Vomiting
Acute inhalation toxicity - Irritation symptoms in the respiratory tract.
Specific target organ toxicity - repeated exposure
Classified based on available data. For more details, see section 2
Aspiration hazard
Classified based on available data. For more details, see section 2
Theophylline Acute toxicity
LD50 Oral - Rat - 225 mg/kg
Remarks: (RTECS)
LC50 Inhalation - Rat - male and female - 4 h - > 6.7 mg/l - aerosol (OECD Test Guideline 403)
LD50 Dermal - Rat - male and female - > 2,000 mg/kg (OECD Test Guideline 402)
Skin corrosion/irritation
Skin - Rabbit
Result: No skin irritation - 4 h (OECD Test Guideline 404)
Serious eye damage/eye irritation
Eyes - Rabbit
Result: No eye irritation (OECD Test Guideline 405)
Respiratory or skin sensitization
Local lymph node assay (LLNA) - Mouse
Result: negative (OECD Test Guideline 429)
Remarks: The value is given in analogy to the following substances: Caffeine
Germ cell mutagenicity
Test Type: Ames test
Test system: Salmonella typhimurium
Result: negative
Remarks: (ECHA)
Test Type: Chromosome aberration test in vitro
Test system: Chinese hamster ovary cells
Result: negative
Test Type: In vitro mammalian cell gene mutation test
Test system: mouse lymphoma cells
Result: negative
Species: Mouse - male and female - Red blood cells (erythrocytes)
Result: negative
Remarks: (ECHA)
Species: Rat - male - sperm
Result: negative
Remarks: (ECHA)
Species: Mouse - male - Bone marrow
Result: negative
Remarks: (ECHA)
Carcinogenicity
Classified based on available data. For more details, see section 2
Reproductive toxicity
May damage the unborn child.
Specific target organ toxicity - single exposure
Classified based on available data. For more details, see section 2
Specific target organ toxicity - repeated exposure Aspiration hazard
Classified based on available data. For more details, see section 2

SECTION 12: Ecological information

12.1 Toxicity

Mixture
No data available

12.2 Persistence and degradability

No data available

12.3 Bioaccumulative potential

No data available

12.4 Mobility in soil

No data available

12.5 Results of PBT and vPvB assessment

PBT/vPvB assessment not available as chemical safety assessment not required/not conducted

12.6 Endocrine disrupting properties

No data available

12.7 Other adverse effects

No data available
Components Methanol
Toxicity to fish flow-through test LC50 - Lepomis macrochirus (Bluegill) - 15,400.0 mg/l - 96 h (US-EPA)
Toxicity to daphnia semi-static test EC50 - Daphnia magna (Water flea) - 18,260 and other aquatic mg/l - 96 h invertebrates (OECD Test Guideline 202)
Toxicity to algae static test ErC50 - Pseudokirchneriella subcapitata (green algae) - ca. 22,000.0 mg/l - 96 h (OECD Test Guideline 201)
Toxicity to bacteria static test IC50 - activated sludge - > 1,000 mg/l - 3 h (OECD Test Guideline 209)
Toxicity to NOEC - Oryzias latipes (Orange-red killifish) - 7,900 mg/l - 200 fish(Chronic toxicity) h
Remarks: (External MSDS)
Theophylline
Toxicity to fish static test LC50 - Leuciscus idus (Golden orfe) - 100 mg/l - 96 h (DIN 38412 part 15)
Toxicity to daphnia static test EC50 - Daphnia magna (Water flea) - 178 mg/l - 48 and other aquatic h invertebrates (Directive 67/548/EEC, Annex V, C.2.)
Toxicity to algae ErC50 - Desmodesmus subspicatus (green algae) - > 100 mg/l - 72 h (OECD Test Guideline 201)
Toxicity to bacteria EC50 - activated sludge - > 1,000 mg/l - 3 h (OECD Test Guideline 209)

SECTION 13: Disposal considerations

13.1 Waste treatment methods

Product
Offer surplus and non-recyclable solutions to a licensed disposal company.

SECTION 14: Transport information

14.1 UN number

ADR/RID: 1230
IMDG: 1230
IATA-DGR: 1230

14.2 UN proper shipping name

ADR/RID: METHANOL,SOLUTION
IMDG: METHANOL,SOLUTION
IATA-DGR: Methanol,SOLUTION

14.3 Transport hazard class(es)

ADR/RID: 3 (6.1)
IMDG: 3 (6.1)
IATA-DGR: 3 (6.1)

14.4 Packaging group

ADR/RID: II
IMDG: II
IATA-DGR: II

14.5 Environmental hazards

ADR/RID: no
IMDG Marine pollutant: no
IATA-DGR: no

14.6 Special precautions for user

Based on chemical properties, choose appropriate tools and conditions of transport.
Transporting tools shall be equipped with appropriate and sufficient firefighting equipment and emergency leaking installations. If transporting by road, please go along the specified route.

14.7 Incompatible materials

Acids, Oxidizing agents, Alkali metals, Strong oxidizing agents, Strong acids, Acid chlorides,
Acid anhydrides, Reducing agents, Strong reducing agents, Phosphorus halides

SECTION 15: Regulatory information

15.1 Safety, health and environmental regulations/legislation specific for the substance or mixture

National regulatory information
Law on the Prevention and Control of Occupational Diseases
Regulations on Safety Management of Hazardous Chemicals
Catalogue of Hazardous Chemicals : Listed
Other regulations
Please pay attention on the waste treatment should also comply with local regulations requirement.

SECTION 16: Other information

Abbreviations and acronyms

CAS: Chemical Abstracts Service
TWA: Time-Weighted Average
STEL: Short-Term Exposure Limit
LD50: Lethal Dose 50%
LC50: Lethal Concentration 50%
EC50: Effective Concentration 50%
PEL: Permissible Exposure Limit
TLV: Threshold Limit Value
IMDG: International Maritime Dangerous Goods Code
IATA: International Air Transport Association
ADR: European Agreement concerning the International Carriage of Dangerous Goods by Road
DOT: US Department of Transportation
NFPA: National Fire Protection Association
NIOSH: National Institute for Occupational Safety and Health
OSHA: Occupational Safety and Health Administration
Disclaimer:

The information in this MSDS is only applicable to the specified product, unless otherwise specified, it is not applicable to the mixture of this product and other substances. This MSDS only provides information on the safety of the product for those who have received the appropriate professional training for the user of the product. Users of this MSDS must make independent judgments on the applicability of this SDS. The authors of this MSDS will not be held responsible for any harm caused by the use of this MSDS.

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