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Home> Encyclopedia >   /  Alcohol & Hydroxybenzene & Ether  /  Antioxidants  /  Pharmaceutical Intermediates  /  Organic Intermediate  /  Rubber Auxiliary Agents
Butylated Hydroxytoluene structure
Butylated Hydroxytoluene structure

Butylated Hydroxytoluene

Iupac Name:2,6-ditert-butyl-4-methylphenol
CAS No.:128-37-0
Molecular Weight:220.35
Introduction: The antioxidant butylated hydroxytoluene is containedin food, adhesive glues, industrial oils and greases, including cutting fluids. Sensitization seemsvery rare.
1. Names and Identifiers
1.1 Name
Butylated Hydroxytoluene
1.2 Synonyms

2,6-Di-tert-butyl-4-methylphenol 3,5-Di-tert-butyl-4-hydroxytoluene BHT BHT FCC/NF BHT,GRANULAR,FCC BHT,GRANULAR,TECHNICAL Butylated hydroxytoluene Butylated hydroxytoluene Manufacturer BUTYLATEDHYDROXYTOLUENE,GRANULAR,NF Butylhydroxytoluene

1.3 CAS No.
128-37-0
1.4 CID
31404
1.5 EINECS(EC#)
204-881-4
1.6 Molecular Formula
C15H24O (isomer)
1.7 Inchi
InChI=1S/C15H24O/c1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7/h8-9,16H,1-7H3
1.8 InChkey
NLZUEZXRPGMBCV-UHFFFAOYSA-N
1.9 Canonical Smiles
CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C
1.10 Isomers Smiles
CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C
2. Properties
3.1 Density
1.048
3.2 Melting Point
69-73?°C(lit.)
3.3 Boiling Point
265?°C(lit.)
3.4 Vapour
<0.01 mm Hg ( 20 °C)
3.5 Refractive Index
1.4859
3.6 Flash Point
127 °C
3.7 Appearance
White crystals or crystalline powder
3.8 Carcinogenicity
The IARC has determined that there islimited evidence for the carcinogenicity ofBHT in experimental animals.BHT has given primarily negative resultsin a large number of in vivo and in vitro genotoxicassays.No significant reproductive effects wereobserved in three-generation toxicity studies inmice administered up to 0.4% in the diet.6The 2003 ACGIH threshold limit valuetime-weighted average (TLV-TWA) for 2,6-ditert-butyl-p-cresol is 2mg/m3.
3.9 Chemical Properties
Butylated hydroxytoluene(BHT) is white or light yellow crystal. BHT has a melting point of 71°C, a boiling point of 265°C, a relative density of 1.048 (20/4°C), and a refractive index of 1.4859 (75°C). Solubility of BHT at normal temperature: methanol 25, ethanol 25-26, isopropanol 30, mineral oil 30, acetone 40, petroleum ether 50, benzene 40, lard (40-50°C ) 40-50, corn oil and soybean oil 40-50. BHT is insoluble in water, 10NaOH solution, glycerol, and propylene glycol. BHT is odorless, odorless with good thermal stability.
3.10 Color/Form
white
3.11 Contact Allergens
This antioxidant is contained in food, adhesive glues,industrial oils, and greases, including cutting fluids.Sensitization seems very rare.
3.12 Decomposition
Hazardous decomposition products formed under fire conditions - Carbon oxides.
3.13 Odor
Very faint, musty, occasional cresylic-type odor
3.14 pKa
pKa 14(H2Ot = 25c = 0.002 to 0.01) (Uncertain)
3.15 Solubility
methanol: 0.1?g/mL, clear, colorless
3.16 Spectral Properties
Index of Refraction: 1.4859 @ 75 DEG C/D.
Max absorption(Isopropanol): 227 NM (LOG E= 3.75); 277 NM (LOG E= 3.34); 283 NM (LOG E= 3.34)
Intense mass spectral peaks: 205 m/z (100%), 220 m/z (27%), 57 m/z (27%), 206 m/z (15%)
IR: 2107 (Coblentz Society Spectral Collection)
NMR: 1563 (Atlas of Mass Spectral Data, John Wiley & Sons, New York)
3.17 Stability
Stable, but light-sensitive. Incompatible with acid chlorides, acid anhydrides, brass, copper, copper alloys, steel, bases, oxidizing agents. Combustible.
3.18 StorageTemp
0-6°C
3.19 VaporDensity
7.6 (Air = 1)
3.20 Viscosity
3.47 centistokes at 0 deg C; 1.54 centistokes at 120 deg C
3.21 Water Solubility
Insoluble.
3.22 Λmax
282(CH2Cl2)nm
3. Use and Manufacturing
4.1 Definition
ChEBI: A member of the class of phenols that is 4-methylphenol substituted by tert-butyl groups at positions 2 and 6.
4.2 Fire Hazard
2,6-Di-tert-butyl-4-methylphenol is combustible.
4.3 General Description
White crystalline solid.
4.4 Potential Exposure
DBPC is used as a food and feed additive, flavor, and packaging material; as an antioxidant in human foods and animal feeds. It is also used as an antioxidant to sta- bilize petroleum fuels, rubber and vinyl plastics.
4.5 Produe Method
Prepared by the reaction of p-cresol with isobutene.
4.6 Purification Methods
Dissolve BHT in n-hexane at room temperature, then cool with rapid stirring, to -60o. The precipitate is separated, redissolved in hexane, and the process is repeated until the mother liquor is no longer coloured. The final product is stored under N2 at 0o [Blanchard J Am Chem Soc 82 2014 1960]. It has also been recrystallised from EtOH, MeOH, *benzene, n-hexane, methylcyclohexane or pet ether (b 60-80o), and is dried in a vacuum. [Beilstein 6 IV 3511.]
4.7 Safety Profile
Poison by intraperitoneal andintravenous routes. Moderately toxic by ingestion. Anexperimental teratogen. Other experimental reproductiveeffects. A human skin irritant. A skin and eye irritant.Questionable carcinogen with experimental carcinogenicand.
4.8 Shipping
UN2811 Toxic solids, organic, n.o.s., HazardClass: 6.1; Labels: 6.1-Poisonous materials, TechnicalName Required.
4.9 Storage
Exposure to light, moisture, and heat causes discoloration and a loss of activity. Butylated hydroxytoluene should be stored in a wellclosed container, protected from light, in a cool, dry place.
4.10 Usage
Antioxidant.
4. Safety and Handling
5.1 Hazard Codes
N,Xn
5.2 Risk Statements
22-36/37/38-36/38-50/53
5.3 Safety Statements
26-36-37/39-61-60
5.4 HazardClass
9
5.4 PackingGroup
III
5.5 Transport
3077
5.6 Exposure Standards and Regulations
Butylated hydroxytoluene used as a chemical preservative in animal drugs, feeds, and related products is generally recognized as safe when the total content of antioxidants is not over 0.002 percent of fat or oil content, including essential (volatile) oil content of food, provided the substance is used in accordance with good manufacturing or feeding practice.
5.7 Fire Fighting Procedures
Carbon dioxide, dry chemial.
5.8 FirePotential
Fire Hazard: slight, when exposed to heat or flame. Moderately dangerous can react with oxidizing materials.
5.9 Formulations/Preparations
The antioxidant formulations most commonly used in edible products contain various combinations of bha, bht, &/or propyl gallate together with citric acid in a suitable solvent.
Grades: technical; feed; "food chemical codex"
Inol CP shell
Embanox 2 rhone-poulenc
Hydagen DEO henkel
5.10 Incompatibilities
Butylated hydroxytoluene is phenolic and undergoes reactionscharacteristic of phenols. It is incompatible with strong oxidizingagents such as peroxides and permanganates. Contact withoxidizing agents may cause spontaneous combustion. Iron saltscause discoloration with loss of activity. Heating with catalyticamounts of acids causes rapid decomposition with the release of theflammable gas isobutene.
5.11 Other Preventative Measures
SRP: The scientific literature for the use of contact lenses in industry is conflicting. The benefit or detrimental effects of wearing contact lenses depend not only upon the substance, but also on factors including the form of the substance, characteristics and duration of the exposure, the uses of other eye protection equipment, and the hygiene of the lenses. However, there may be individual substances whose irritating or corrosive properties are such that the wearing of contact lenses would be harmful to the eye. In those specific cases, contact lenses should not be worn. In any event, the usual eye protection equipment should be worn even when contact lenses are in place.
The worker should immediately wash the skin when it becomes contaminated.
Work clothing that becomes wet or significantly contaminated should be removed and replaced.
Workers whose clothing may have become contaminated should change into uncontaminated clothing before leaving the work premises.
5.12 Protective Equipment and Clothing
Wear appropriate personal protective clothing to prevent skin contact.
Wear appropriate eye protection to prevent eye contact.
5.13 Reactivities and Incompatibilities
Oxidizers.
5.14 Safety
Hazard Codes :HarmfulXn
Risk Statements:
R22:Harmful if swallowed
R36/37/38:Irritating to eyes, respiratory system and skin
R36/38:Irritating to eyes and skin
Safety Statements:
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing
S37/39:Wear suitable gloves and eye/face protection
RIDADR 3077
WGK Germany: 1
RTECS: GO7875000
F: 8-10-23
HazardClass: 9
PackingGroup: III
HS Code: 29071900

5.15 Skin, Eye, and Respiratory Irritations
SRP: BHT dust is irritating if in contact with the eyes, nose or throat.
5.16 Specification
BHT , its cas register number is 128-37-0. It also can be called 2,6-Di-tert-butyl-4-methylphenol ; 2,6-Bis(1,1-dimethylethyl)-4-methylphenol ; 2,6-Di-tert-butyl-p-cresol ;Butylated hydroxytoluene ; Butylated hydroxytoluene ; DBPC .It is a white crystalline solid and insoluble in water.
5.17 Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LDLo oral 940mg/kg (940mg/kg) GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"

BEHAVIORAL: TREMOR

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION
AMA Archives of Industrial Health. Vol. 11, Pg. 93, 1955.
guinea pig LD50 oral 10700mg/kg (10700mg/kg) GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"

BEHAVIORAL: TREMOR

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION
AMA Archives of Industrial Health. Vol. 11, Pg. 93, 1955.
mouse LD50 intraperitoneal 138mg/kg (138mg/kg) LUNGS, THORAX, OR RESPIRATION: CHRONIC PULMONARY EDEMA

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

BLOOD: HEMORRHAGE
Toxicology and Applied Pharmacology. Vol. 61, Pg. 475, 1981.
mouse LD50 intravenous 180mg/kg (180mg/kg) BEHAVIORAL: SLEEP Journal of Medicinal Chemistry. Vol. 23, Pg. 1350, 1980.
mouse LD50 oral 650mg/kg (650mg/kg) BEHAVIORAL: TREMOR

LUNGS, THORAX, OR RESPIRATION: CHRONIC PULMONARY EDEMA
Science Reports of the Research Institutes, Tohoku University, Series C: Medicine. Vol. 36(1-4), Pg. 10, 1989.
rabbit LDLo oral 2100mg/kg (2100mg/kg) GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

BEHAVIORAL: TREMOR
AMA Archives of Industrial Health. Vol. 11, Pg. 93, 1955.
rat LD50 oral 890mg/kg (890mg/kg) Neoplasma. Vol. 24, Pg. 253, 1977.
women TDLo oral 80mg/kg (80mg/kg) BEHAVIORAL: COMA

GASTROINTESTINAL: GASTRITIS

GASTROINTESTINAL: NAUSEA OR VOMITING
New England Journal of Medicine. Vol. 314, Pg. 648, 1986.

5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H410 Very toxic to aquatic life with long lasting effects

Precautionary statement(s)
Prevention

P273 Avoid release to the environment.

Response

P391 Collect spillage.

Storage

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

9. Computational chemical data
  • Molecular Weight:220.35g/mol
  • Molecular Formula:C15H24O
  • Compound Is Canonicalized:True
  • XLogP3-AA:5.3
  • Exact Mass:220.182715385
  • Monoisotopic Mass:220.182715385
  • Complexity:207
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:20.2
  • Heavy Atom Count:16
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
10. Question & Answer
  • Butylated hydroxytoluene(BHT) is white or light yellow crystal. BHT has a melting point of 71°C, a boiling point of 265°C, a relative density of 1.048 (20/4°C), and a refractive index of 1.4859 (75°C). Solubility of BHT at normal temperature: methanol 25, ethanol 25-26, isopropanol ...
  • Chemical Properties Butylated hydroxytoluene are also be named as 2, 6-di-tert-butyl-4-methylphenol, 2, 6-di-tert-butyl-p-cresol, Antioxidant 264, 2, 6-di-tert-butyl-p-methylphenol, BHT, DBPC, dibutylhydroxytoluene. The Molecular Weight of BHT is 220.35. As a white solid with faint characteristic o...
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