121-00-6 structure, C11H16O2

3-tert-butyl-4-hydroxyanisole

CAS No.

121-00-6

Formula:

C11H16O2

Basic Info

Butylated hydroxyanisole (BHA) is an antioxidant consisting of a mixture of two isomeric organic compounds, 2-tert-butyl-4-hydroxyanisole and 3-tert-butyl-4-hydroxyanisole. It is prepared from 4-methoxyphenol and isobutylene. It is a waxy solid used as a food additive with the E number E320. The primary use for BHA is as an antioxidant and preservative in food, food packaging, animal feed, cosmetics, rubber, and petroleum products. BHA also is commonly used in medicines, such as isotretinoin, lovastatin, and simvastatin, among others.

Formula
C11H16O2
Molecular Weight
180.244
Exact Mass
180.115
LogP
2.6983
PSA
29.46
Synonyms

BUTYL HYDROXY ANISOLE

2-tert

Nipantiox

2-tert-Bha

Hydroxybutylanisole

2-tert-Butyl-4-methoxyphenol

3-tert-Butyl-p-hydroxyanisole

4-hydroxy-3-tert-butylanisole

4-Methoxy-6-tert-butylphenol

2-tert-butyl-4

4-methoxy-2-tert-butylphenol

Phenol, 2-(1,1-dimethylethyl)-4-methoxy-

2-(tert-Butyl)-4-methoxyphenol

3-tert-butyl-4-hydroxy-anisole

2-tert-Butyl-4-methoxyphenol,3-BHA,BHA

3-TERT-BUTYL-4-HYDROXYANISOLE

AURORA 4808

TERT-BUTYL HYDROXYANISOLE

3-BHA

expand collapse

Properties

Density
1.009 g/cm3
Boiling Point
269.1ºC at 760 mmHg
Melting Point
58-64ºC
Flash Point
105.6ºC
Refractive Index
1.507
Storage Condition
0-6ºC
Vapor Pressure
0.00446mmHg at 25°C

Safety Info

RTECS
SK1575000
Safety Statements
S26; S36/37/39
WGK Germany
2
Risk Statements
R36/37/38
HS Code
2909500000

MSDS

SDS 1.0
expand collapse
Download/Modify | Technical supported by XiXisys.com. For US version, EU version (23 languages) and more, please refer to xixisys.com/en/sds/search

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 10, 2017

Revision Date: Aug 10, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-tert-butyl-4-hydroxyanisole

1.2 Other means of identification

Product number -
Other names BUTYL HYDROXY ANISOLE

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

Company MOLBASE (Shanghai) Biotechnology Co., Ltd.
Address Floor 4 & 5, Building 12, No. 1001 North Qinzhou Road,
Xuhui District, Shanghai, China
Telephone +86(21)64956998
Fax +86(21)54365166

1.5 Emergency phone number

Emergency phone number +86-400-6021-666
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

none

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

3.Composition/information on ingredients

3.1 Substances

Chemical name Common names and synonyms CAS number EC number Concentration
3-tert-butyl-4-hydroxyanisole 3-tert-butyl-4-hydroxyanisole 121-00-6 none 100%

4.First-aid measures

4.1 Description of necessary first-aid measures

General advice

Consult a physician. Show this safety data sheet to the doctor in attendance.

If inhaled

If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician.

In case of skin contact

Wash off with soap and plenty of water. Consult a physician.

In case of eye contact

Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician.

If swallowed

Never give anything by mouth to an unconscious person. Rinse mouth with water. Consult a physician.

4.2 Most important symptoms/effects, acute and delayed

SYMPTOMS: Symptoms of exposure to this compound may include allergic contact dermatitis, exacerbation of vasomotor rhinitis, conjunctival irritation and redness, asthma, facial flushing, marked diaphoresis, headaches, dull retrosternal pain and somnolence. It may also cause hypersensitivity reactions after skin contact. ACUTE/CHRONIC HAZARDS: This compound is toxic by ingestion. When heated to decomposition this compound emits acrid smoke and irritating fumes.

4.3 Indication of immediate medical attention and special treatment needed, if necessary

Absorption, Distribution and Excretion

CONCENTRATIONS OF 2-TERT-BUTYL-4-METHOXYPHENOL & 2,2'-DIHYDROXY-3,3'-DI-TERT-BUTYL-5,5'DIMETHOXY-DIPHENYL (DI-BHA) APPEARED AT DIFFERENT TIMES (0.15-24 HR) IN RAT PLASMA & INTESTINE FOLLOWING 2 G/KG SINGLE ORAL ADMIN OF 2-TERT-BUTYL-4-METHOXYPHENOL. PEAK CONCN IN ALL TISSUES ANALYZED WERE OBSERVED WITHIN 1 HR OF ADMIN. IN INTESTINE 2-TERT-BUTYL-4-METHOXYPHENOL LEVELS WERE APPROX 10 TIMES HIGHER THAN DI-BHA; IN PLASMA THEY WERE BETWEEN 100 & 15 TIMES HIGHER. THE RAT INTESTINE IS CAPABLE OF TRANSFORMING IN VIVO 2-TERT-BUTYL-4-METHOXYPHENOL INTO DI-BHA & MAY BE MAJOR SITE WHERE THIS TRANSFORMATION OCCURS.

5.Fire-fighting measures

5.1 Extinguishing media

Suitable extinguishing media

Fires involving this compound can be controlled with a dry chemical, carbon dioxide or Halon extinguisher.

5.2 Specific hazards arising from the chemical

This chemical is combustible.

5.3 Special protective actions for fire-fighters

Wear self-contained breathing apparatus for firefighting if necessary.

6.Accidental release measures

6.1 Personal precautions, protective equipment and emergency procedures

Use personal protective equipment. Avoid dust formation. Avoid breathing vapours, mist or gas. Ensure adequate ventilation. Evacuate personnel to safe areas. Avoid breathing dust. For personal protection see section 8.

6.2 Environmental precautions

Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Discharge into the environment must be avoided.

6.3 Methods and materials for containment and cleaning up

Pick up and arrange disposal. Sweep up and shovel. Keep in suitable, closed containers for disposal.

7.Handling and storage

7.1 Precautions for safe handling

Avoid contact with skin and eyes. Avoid formation of dust and aerosols. Avoid exposure - obtain special instructions before use.Provide appropriate exhaust ventilation at places where dust is formed. For precautions see section 2.2.

7.2 Conditions for safe storage, including any incompatibilities

Store in cool place. Keep container tightly closed in a dry and well-ventilated place.

8.Exposure controls/personal protection

8.1 Control parameters

Occupational Exposure limit values

no data available

Biological limit values

no data available

8.2 Appropriate engineering controls

Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and at the end of workday.

8.3 Individual protection measures, such as personal protective equipment (PPE)

Eye/face protection

Safety glasses with side-shields conforming to EN166. Use equipment for eye protection tested and approved under appropriate government standards such as NIOSH (US) or EN 166(EU).

Skin protection

Wear impervious clothing. The type of protective equipment must be selected according to the concentration and amount of the dangerous substance at the specific workplace. 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 EU Directive 89/686/EEC and the standard EN 374 derived from it.

Respiratory protection

Wear dust mask when handling large quantities.

Thermal hazards

no data available

9.Physical and chemical properties

Physical state PHYSICAL DESCRIPTION: White, beige or slightly yellow waxy solid with an aromatic odor and a slightly bitter burning taste.
Colour no data available
Odour no data available
Melting point/ freezing point 96°C(lit.)
Boiling point or initial boiling point and boiling range 143°C/9mmHg(lit.)
Flammability no data available
Lower and upper explosion limit / flammability limit no data available
Flash point 86°C(lit.)
Auto-ignition temperature no data available
Decomposition temperature no data available
pH no data available
Kinematic viscosity no data available
Solubility less than 1 mg/mL at 18.5°C
Partition coefficient n-octanol/water (log value) no data available
Vapour pressure 0.00446mmHg at 25°C
Density and/or relative density 1.009 g/cm3
Relative vapour density no data available
Particle characteristics no data available

10.Stability and reactivity

10.1 Reactivity

no data available

10.2 Chemical stability

Stable under recommended storage conditions.

10.3 Possibility of hazardous reactions

BUTYLATED HYDROXYANISOLE degrades with prolonged exposure to sunlight. Exhibits antioxidant properties and synergism with acids, BHT, propyl gallate, hydroquinone, methionine, lecithin and thiodipropionic acid. It exhibits antioxidant properties as a scavenger of free radicals. It is incompatible with oxidizing agents and ferric salts.

10.4 Conditions to avoid

no data available

10.5 Incompatible materials

no data available

10.6 Hazardous decomposition products

When heated to decomposition it emits acrid smoke and irritating fumes.

11.Toxicological information

Acute toxicity

  • Oral: LD50 Rat oral 4000 mg/kg
  • Inhalation: no data available
  • Dermal: no data available

Skin corrosion/irritation

no data available

Serious eye damage/irritation

no data available

Respiratory or skin sensitization

no data available

Germ cell mutagenicity

no data available

Carcinogenicity

no data available

Reproductive toxicity

no data available

STOT-single exposure

no data available

STOT-repeated exposure

no data available

Aspiration hazard

no data available

12.Ecological information

12.1 Toxicity

  • Toxicity to fish: no data available
  • Toxicity to daphnia and other aquatic invertebrates: no data available
  • Toxicity to algae: no data available
  • Toxicity to microorganisms: 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 Other adverse effects

no data available

13.Disposal considerations

13.1 Disposal methods

Product

The material can be disposed of by removal to a licensed chemical destruction plant or by controlled incineration with flue gas scrubbing. Do not contaminate water, foodstuffs, feed or seed by storage or disposal. Do not discharge to sewer systems.

Contaminated packaging

Containers can be triply rinsed (or equivalent) and offered for recycling or reconditioning. Alternatively, the packaging can be punctured to make it unusable for other purposes and then be disposed of in a sanitary landfill. Controlled incineration with flue gas scrubbing is possible for combustible packaging materials.

14.Transport information

14.1 UN Number

ADR/RID: UN3077 IMDG: UN3077 IATA: UN3077

14.2 UN Proper Shipping Name

ADR/RID: ENVIRONMENTALLY HAZARDOUS SUBSTANCE, SOLID, N.O.S.
IMDG: ENVIRONMENTALLY HAZARDOUS SUBSTANCE, SOLID, N.O.S.
IATA: ENVIRONMENTALLY HAZARDOUS SUBSTANCE, SOLID, N.O.S.

14.3 Transport hazard class(es)

ADR/RID: 9 IMDG: 9 IATA: 9

14.4 Packing group, if applicable

ADR/RID: III IMDG: III IATA: III

14.5 Environmental hazards

ADR/RID: no IMDG: no IATA: no

14.6 Special precautions for user

no data available

14.7 Transport in bulk according to Annex II of MARPOL 73/78 and the IBC Code

no data available

15.Regulatory information

15.1 Safety, health and environmental regulations specific for the product in question

Chemical name Common names and synonyms CAS number EC number
3-tert-butyl-4-hydroxyanisole 3-tert-butyl-4-hydroxyanisole 121-00-6 none
European Inventory of Existing Commercial Chemical Substances (EINECS) Listed.
EC Inventory Listed.
United States Toxic Substances Control Act (TSCA) Inventory Listed.
China Catalog of Hazardous chemicals 2015 Not Listed.
New Zealand Inventory of Chemicals (NZIoC) Listed.
Philippines Inventory of Chemicals and Chemical Substances (PICCS) Listed.
Vietnam National Chemical Inventory Listed.
Chinese Chemical Inventory of Existing Chemical Substances (China IECSC) Listed.

16.Other information

Information on revision

Creation Date Aug 10, 2017
Revision Date Aug 10, 2017

Abbreviations and acronyms

  • CAS: Chemical Abstracts Service
  • ADR: European Agreement concerning the International Carriage of Dangerous Goods by Road
  • RID: Regulation concerning the International Carriage of Dangerous Goods by Rail
  • IMDG: International Maritime Dangerous Goods
  • IATA: International Air Transportation Association
  • TWA: Time Weighted Average
  • STEL: Short term exposure limit
  • LC50: Lethal Concentration 50%
  • LD50: Lethal Dose 50%
  • EC50: Effective Concentration 50%

References

  • IPCS - The International Chemical Safety Cards (ICSC), website: http://www.ilo.org/dyn/icsc/showcard.home
  • HSDB - Hazardous Substances Data Bank, website: https://toxnet.nlm.nih.gov/newtoxnet/hsdb.htm
  • IARC - International Agency for Research on Cancer, website: http://www.iarc.fr/
  • eChemPortal - The Global Portal to Information on Chemical Substances by OECD, website: http://www.echemportal.org/echemportal/index?pageID=0&request_locale=en
  • CAMEO Chemicals, website: http://cameochemicals.noaa.gov/search/simple
  • ChemIDplus, website: http://chem.sis.nlm.nih.gov/chemidplus/chemidlite.jsp
  • ERG - Emergency Response Guidebook by U.S. Department of Transportation, website: http://www.phmsa.dot.gov/hazmat/library/erg
  • Germany GESTIS-database on hazard substance, website: http://www.dguv.de/ifa/gestis/gestis-stoffdatenbank/index-2.jsp
  • ECHA - European Chemicals Agency, website: https://echa.europa.eu/

Disclaimer: The above information is believed to be correct but does not purport to be all inclusive and shall be used only as a guide. The information in this document is based on the present state of our knowledge and is applicable to the product with regard to appropriate safety precautions. It does not represent any guarantee of the properties of the product. We as supplier shall not be held liable for any damage resulting from handling or from contact with the above product.
MSDS
expand collapse
  4-Hydroxy-3-tert-butylanisole      Revision number: 6    
  SAFETY DATA SHEET

Section 1. IDENTIFICATION
  Product name:        4-Hydroxy-3-tert-butylanisole    
    
  Revision number:        6    

Section 2. HAZARDS IDENTIFICATION
  GHS classification
  PHYSICAL HAZARDS        Not classified    
  HEALTH HAZARDS
  Acute toxicity (Oral)        Category 5    
    Category 2
  Skin corrosion/irritation
  Serious eye damage/eye irritation        Category 2A    
  ENVIRONMENTAL HAZARDS
  Acute aquatic hazard        Category 1    
    Category 1
  Long-term aquatic hazard
  GHS label elements, including precautionary statements
  Pictograms or hazard symbols
  Signal word        Warning    
    May be harmful if swallowed
  Hazard statements
    Causes skin irritation
    Causes serious eye irritation
    Very toxic to aquatic life
    Very toxic to aquatic life with long lasting effects
  Precautionary statements:
    Avoid release to the environment.
  [Prevention]
    Wash hands thoroughly after handling.
    Wear protective gloves/eye protection/face protection.
  [Response]        IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses,    
    if present and easy to do. Continue rinsing.
    If eye irritation persists: Get medical advice/attention.
    IF ON SKIN: Gently wash with plenty of soap and water.
    If skin irritation occurs: Get medical advice/attention.
    Take off contaminated clothing and wash before reuse.
    Call a POISON CENTER or doctor/physician if you feel unwell.
    Collect spillage.
  [Disposal]        Dispose of contents/container through a waste management company authorized by    
    the local government.
  4-Hydroxy-3-tert-butylanisole

Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
  Substance/mixture:        Substance    
  Components:        4-Hydroxy-3-tert-butylanisole    
  Percent:        >98.0%(GC)    
  CAS Number:        121-00-6    
  Synonyms:        2-tert-Butyl-4-methoxyphenol    
  Chemical Formula:        C11H16O2    

Section 4. FIRST AID MEASURES
    Remove victim to fresh air and keep at rest in a position comfortable for breathing.
  Inhalation:
    Call a POISON CENTER or doctor/physician if you feel unwell.
  Skin contact:        Remove/Take off immediately all contaminated clothing. Gently wash with plenty of    
    soap and water. If skin irritation or rash occurs: Get medical advice/attention.
  Eye contact:        Rinse cautiously with water for several minutes. Remove contact lenses, if present    
    and easy to do. Continue rinsing. If eye irritation persists: Get medical
    advice/attention.
  Ingestion:        Call a POISON CENTER or doctor/physician if you feel unwell. Rinse mouth.    
  Protection of first-aiders:        A rescuer should wear personal protective equipment, such as rubber gloves and air-    
    tight goggles.

Section 5. FIRE-FIGHTING MEASURES
  Suitable extinguishing        Dry chemical, foam, water spray, carbon dioxide.    
  media:
  Precautions for firefighters: Fire-extinguishing work is done from the windward and the suitable fire-extinguishing
    method according to the surrounding situation is used. Uninvolved persons should
    evacuate to a safe place. In case of fire in the surroundings: Remove movable
    containers if safe to do so.
  Special protective        When extinguishing fire, be sure to wear personal protective equipment.    
  equipment for firefighters:

Section 6. ACCIDENTAL RELEASE MEASURES
    Use personal protective equipment. Keep people away from and upwind of spill/leak.
  Personal precautions,
  protective equipment and Entry to non-involved personnel should be controlled around the leakage area by
  emergency procedures: roping off, etc.
  Environmental precautions: Be careful not to let it flow into rivers, etc., since adverse effects on the environment
    are concerned.
  Methods and materials for Sweep dust to collect it into an airtight container, taking care not to disperse it.
  containment and cleaning Adhered or collected material should be promptly disposed of, in accordance with
  up: appropriate laws and regulations.

Section 7. HANDLING AND STORAGE
  Precautions for safe handling
  Technical measures:        Handling is performed in a well ventilated place. Wear suitable protective equipment.    
    Prevent dispersion of dust. Wash hands and face thoroughly after handling.
    Use a local exhaust if dust or aerosol will be generated.
  Advice on safe handling: Avoid contact with skin, eyes and clothing.
  Conditions for safe storage, including any
  incompatibilities
  Storage conditions:        Keep container tightly closed. Store in a cool and dark place.    
    Store under inert gas.
    Store away from incompatible materials such as oxidizing agents.
    Air-sensitive
    Comply with laws.
  Packaging material:

Section 8. EXPOSURE CONTROLS / PERSONAL PROTECTION
  Engineering controls:        Install a closed system or local exhaust as possible so that workers should not be    
    exposed directly. Also install safety shower and eye bath.
  4-Hydroxy-3-tert-butylanisole

Section 8. EXPOSURE CONTROLS / PERSONAL PROTECTION
  Personal protective equipment
  Respiratory protection: Dust respirator. Follow local and national regulations.
  Hand protection:        Protective gloves.    
    Safety glasses. A face-shield, if the situation requires.
  Eye protection:
  Skin and body protection: Protective clothing. Protective boots, if the situation requires.

Section 9. PHYSICAL AND CHEMICAL PROPERTIES
  Physical state (20°C):        Solid    
    Crystal- Powder
  Form:
  Colour:        White - Almost white    
    No data available
  Odour:
  pH: No data available
  Melting point/freezing point:60°C
  Boiling point/range:        No data available    
    No data available
  Flash point:
  Flammability or explosive
  limits:
  Lower:        No data available    
  Upper:        No data available    
  Relative density:        No data available    
  Solubility(ies):
  [Water]        Very slightly soluble    
  [Other solvents]
  Soluble:        Methanol    
    3.14
  Log Pow:

Section 10. STABILITY AND REACTIVITY
  Chemical stability:        Stable under proper conditions.    
  Possibility of hazardous No special reactivity has been reported.
  reactions:
  Incompatible materials: Oxidizing agents
  Hazardous decomposition Carbon monoxide, Carbon dioxide
  products:

Section 11. TOXICOLOGICAL INFORMATION
    ipr-rat LD50:32 mg/kg
  Acute Toxicity:
    orl-rat LD50:2910 mg/kg
  Skin corrosion/irritation: skn-mam 100 %
  Serious eye        eye-mam 100 %    
  damage/irritation:
  Germ cell mutagenicity: mtr-mus-fbr 30 mg/L
    cyt-ham-lng 125 mg/L
  Carcinogenicity:        orl-ham TDLo:134 g/kg/24W-C    
  IARC =        No data available    
  NTP =        No data available    
  Reproductive toxicity:        No data available    
  RTECS Number:        SK1575000    

Section 12. ECOLOGICAL INFORMATION
  Ecotoxicity:
    No data available
  Fish:
  Crustacea:        No data available    
    No data available
  Algae:
  Persistence / degradability: No data available
  Bioaccumulative        No data available    
  potential(BCF):
  4-Hydroxy-3-tert-butylanisole

Section 12. ECOLOGICAL INFORMATION
  Mobility in soil
    3.14
  Log Pow:
  Soil adsorption (Koc):        No data available    
    No data available
  Henry's Law
  constant(PaM3/mol):

Section 13. DISPOSAL CONSIDERATIONS
    Recycle to process, if possible. Consult your local regional authorities. You may be able to dissolve or mix material
    with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber system.
    Observe all federal, state and local regulations when disposing of the substance.

Section 14. TRANSPORT INFORMATION
    9: Miscellaneous dangerous goods.
  Hazards Class:
  UN-No:        3077    
    Environmentally hazardous substance, solid, n.o.s.
  Proper shipping name:
  Packing group:        III    
    Y
  Marine pollutant

Section 15. REGULATORY INFORMATION
  Safe management ordinance of dangerous chemical product (State Council announces on January 26, 2002
  and revised on February 16,2011): Safe use and production, the storage of a dangerous chemical, transport,
    loading and unloading were prescribed.


SECTION 16 - ADDITIONAL INFORMATION
N/A

Spectrum

NMR Spectrum 1H NMR : Predict
expand collapse

Toxicity

ACUTE TOXICITY DATA
expand collapse
Type of Test
LD50 - Lethal dose, 50 percent kill
Exposure Route
Oral
Species Observed
Rodent - rat
Dose/Duration
2910 mg/kg
Toxic Effects
Gastrointestinal--other changes
Reference
Pharmacological Research Communications. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1969- Volume(issue)/page/year: 16,1041,1984
ACUTE TOXICITY DATA
expand collapse
Type of Test
LD50 - Lethal dose, 50 percent kill
Exposure Route
Intraperitoneal
Species Observed
Rodent - rat
Dose/Duration
32 mg/kg
Toxic Effects
Gastrointestinal--other changes
Reference
Pharmacological Research Communications. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1969- Volume(issue)/page/year: 16,1041,1984
ACUTE TOXICITY DATA
expand collapse
Type of Test
LD50 - Lethal dose, 50 percent kill
Exposure Route
Oral
Species Observed
Rodent - mouse
Dose/Duration
1583 mg/kg
Toxic Effects
Gastrointestinal--other changes
Reference
Pharmacological Research Communications. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1969- Volume(issue)/page/year: 16,1041,1984

Related Compound Information