Isobutylparaben

Modify Date: 2024-01-02 13:21:55

Isobutylparaben Structure
Isobutylparaben structure
Common Name Isobutylparaben
CAS Number 4247-02-3 Molecular Weight 194.227
Density 1.1±0.1 g/cm3 Boiling Point 302.3±15.0 °C at 760 mmHg
Molecular Formula C11H14O3 Melting Point 76°C
MSDS USA Flash Point 125.4±13.2 °C
Symbol GHS07 GHS09
GHS07, GHS09
Signal Word Warning

 Use of Isobutylparaben


Isobutylparaben (Isobutyl 4-hydroxybenzoate) is a constitutive androstane receptor (CAR) activator. Isobutylparaben has a broad-spectrum antimicrobial activity and widely used in personal care products and cosmetics[1].

 Names

Name Isobutyl 4-hydroxybenzoate
Synonym More Synonyms

 Isobutylparaben Biological Activity

Description Isobutylparaben (Isobutyl 4-hydroxybenzoate) is a constitutive androstane receptor (CAR) activator. Isobutylparaben has a broad-spectrum antimicrobial activity and widely used in personal care products and cosmetics[1].
Related Catalog
References

[1]. Chieri Fujino, et al. Comparative Study of the Effect of 17 Parabens on PXR-, CAR- And PPARα-mediated Transcriptional Activation. Food Chem Toxicol. 2019 Nov;133:110792.

[2]. Fei Meng, et al. Isobutylparaben Negatively Affects Porcine Oocyte Maturation Through Increasing Oxidative Stress and Cytoskeletal Abnormalities. Environ Mol Mutagen. 2020 Apr;61(4):433-444.

 Chemical & Physical Properties

Density 1.1±0.1 g/cm3
Boiling Point 302.3±15.0 °C at 760 mmHg
Melting Point 76°C
Molecular Formula C11H14O3
Molecular Weight 194.227
Flash Point 125.4±13.2 °C
Exact Mass 194.094299
PSA 46.53000
LogP 3.28
Vapour Pressure 0.0±0.7 mmHg at 25°C
Index of Refraction 1.524
Storage condition 0-6°C

 MSDS


Section I.Chemical Product and Company Identification
Chemical Name Isobutyl 4-Hydroxybenzoate
Portland OR
Synonym4-Hydroxybenzoic Acid Isobutyl Ester;
Isobutylparaben
Chemical FormulaC11H14O3
CAS Number4247-02-3

Section II.Composition and Information on Ingredients
Toxicology Data
Chemical NameCAS Number Percent (%)TLV/PEL
Min. 99.0 (T) Not available.Not available.
Isobutyl 4-Hydroxybenzoate4247-02-3

Section III. Hazards Identification
Acute Health EffectsIrritating to eyes and skin on contact. Inhalation causes irritation of the lungs and respiratory system. Inflammation of the
eye is characterized by redness, watering, and itching. Skin inflammation is characterized by itching, scaling, reddening, or,
occasionally, blistering.
Skin contact may result in sensitization. Always cover all exposed skin with an impermeable layer and use proper eye
protection. A OSHA/MSHA approved dust and vapor respirator is required when working with this material.
Follow safe industrial hygiene practices and always wear proper protective equipment when handling this compound.
Chronic Health EffectsCARCINOGENIC EFFECTS : Not available.
MUTAGENIC EFFECTS : Not available.
TERATOGENIC EFFECTS : Not available.
DEVELOPMENTAL TOXICITY: Not available.
Repeated or prolonged exposure to this compound is not known to aggravate existing medical conditions.

Section IV.First Aid Measures
Check for and remove any contact lenses. In case of contact, immediately flush eyes with plenty of water for at least 15
Eye Contact
minutes. Get medical attention.
In case of contact, immediately flush skin with plenty of water. Remove contaminated clothing and shoes. Wash clothing
Skin Contact
before reuse. Thoroughly clean shoes before reuse. Get medical attention.
InhalationIf the victim is not breathing, perform mouth-to-mouth resuscitation. Loosen tight clothing such as a collar, tie, belt or
waistband. If breathing is difficult, oxygen can be administered. Seek medical attention if respiration problems do not
improve.
IngestionINDUCE VOMITING by sticking finger in throat. Lower the head so that the vomit will not reenter the mouth and throat.
Loosen tight clothing such as a collar, tie, belt or waistband. If the victim is not breathing, perform mouth-to-mouth
resuscitation. Examine the lips and mouth to ascertain whether the tissues are damaged, a possible indication that the toxic
material was ingested; the absence of such signs, however, is not conclusive.

Section V.Fire and Explosion Data
Not available.
May be combustible at high temperature.Auto-Ignition
Flammability
Flammable LimitsNot available.
Flash PointsNot available.
Combustion ProductsThese products are toxic carbon oxides (CO, CO2).
Fire Hazards
Not available.
Risks of explosion of the product in presence of mechanical impact: Not available.
Explosion Hazards
Risks of explosion of the product in presence of static discharge: Not available.
Fire Fighting Media
SMALL FIRE: Use DRY chemical powder.
LARGE FIRE: Use water spray, fog or foam. DO NOT use water jet.
and Instructions
Consult with local fire authorities before attempting large scale fire-fighting operations.
Continued on Next Page
Isobutyl 4-Hydroxybenzoate

Section VI.Accidental Release Measures
Spill CleanupIrritating material. Skin sensitizing material.
Use a shovel to put the material into a convenient waste disposal container. Consult federal, state, and/or local authorities for
Instructions
assistance on disposal.

Section VII. Handling and Storage
Handling and StorageIRRITANT. SKIN SENSITIZER. Keep away from heat. Mechanical exhaust required. When not in use, tightly seal the
container and store in a dry, cool place. Avoid excessive heat and light. Do not breathe dust.
Information

Section VIII. Exposure Controls/Personal Protection
Use process enclosures, local exhaust ventilation, or other engineering controls to keep airborne levels below recommended
Engineering Controls
exposure limits. If user operations generate dust, fume or mist, use ventilation to keep exposure to airborne contaminants
below the exposure limit.
Splash goggles. Lab coat. Dust respirator. Boots. Gloves. Suggested protective clothing might not be sufficient; consult a
Personal Protection
specialist BEFORE handling this product. Be sure to use a MSHA/NIOSH approved respirator or equivalent.
Exposure LimitsNot available.

Section IX. Physical and Chemical Properties
Physical state @ 20°CSolid. (Crystal, powder. Whtie - almostSolubility
Soluble in methanol;
white.)
Very soluble in ethanol, ether, acetone;
Very slightly soluble in water.
Not available.
Specific Gravity
Molecular Weight194.23Partition CoefficientLOG Pow: 3.11
Boiling PointNot available.Vapor PressureNot applicable.
Melting Point76°C (168.8°F)Vapor DensityNot available.
Not available.Not available.
Refractive IndexVolatility
Critical TemperatureNot available.OdorNot available.
Not available.Not available.
ViscosityTaste

Section X.Stability and Reactivity Data
Stability
This material is stable if stored under proper conditions. (See Section VII for instructions)
Conditions of InstabilityAvoid excessive heat and light.
IncompatibilitiesReactive with strong oxidizing agents.

Section XI. Toxicological Information
RTECS NumberDH2247000
Eye Contact. Ingestion. Inhalation.
Routes of Exposure
Not available.
Toxicity Data
CARCINOGENIC EFFECTS : Not available.
Chronic Toxic Effects
MUTAGENIC EFFECTS : Not available.
TERATOGENIC EFFECTS : Not available.
DEVELOPMENTAL TOXICITY: Not available.
Repeated or prolonged exposure to this compound is not known to aggravate existing medical conditions.
Irritating to eyes and skin on contact. Inhalation causes irritation of the lungs and respiratory system. Inflammation of the eye
Acute Toxic Effects
is characterized by redness, watering, and itching. Skin inflammation is characterized by itching, scaling, reddening, or,
occasionally, blistering.
Skin contact may result in sensitization. Always cover all exposed skin with an impermeable layer and use proper eye
protection. A OSHA/MSHA approved dust and vapor respirator is required when working with this material.
Follow safe industrial hygiene practices and always wear proper protective equipment when handling this compound.

Section XII.Ecological Information
Not available.
Ecotoxicity
Environmental FateNot available.
Continued on Next Page
Isobutyl 4-Hydroxybenzoate

Section XIII. Disposal Considerations
Waste DisposalRecycle 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 XIV. Transport Information
Not a DOT controlled material (United States).
DOT Classification
PIN NumberNot applicable.
Proper Shipping NameNot applicable.
Packing Group (PG)Not applicable.
DOT Pictograms

Section XV. Other Regulatory Information and Pictograms
TSCA Chemical InventoryThis product is NOT on the EPA Toxic Substances Control Act (TSCA) inventory. The following notices are required by 40
CFR 720.36 (C) for those products not on the inventory list:
(EPA)
(i) These products are supplied solely for use in research and development by or under the supervision of a technically
qualified individual as defined in 40 CFR 720.0 et sec.
(ii) The health risks of these products have not been fully determined. Any information that is or becomes available will be
supplied on an MSDS sheet.
WHMIS ClassificationOn DSL.
(Canada)
EINECS Number (EEC) 224-208-8
EEC Risk StatementsR36/37/38- Irritating to eyes, respiratory system and skin.
R43- May cause sensitization by skin contact.


SECTION 16 - ADDITIONAL INFORMATION
N/A

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DH2247000
CHEMICAL NAME :
Benzoic acid, p-hydroxy-, isobutyl ester
CAS REGISTRY NUMBER :
4247-02-3
BEILSTEIN REFERENCE NO. :
2642305
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C11-H14-O3
MOLECULAR WEIGHT :
194.25
WISWESSER LINE NOTATION :
QR DVO1Y1&1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
2600 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 128,135,1960

 Safety Information

Symbol GHS07 GHS09
GHS07, GHS09
Signal Word Warning
Hazard Statements H315-H319-H411
Precautionary Statements P305 + P351 + P338
Hazard Codes Xn: Harmful;
Risk Phrases 51/53
Safety Phrases S22-S24/25
RIDADR UN 3077 9/PG 3
RTECS DH2247000
HS Code 2918290000

 Synthetic Route

~%

Isobutylparaben Structure

Isobutylparaben

CAS#:4247-02-3

Literature: Archiv der Pharmazie (Weinheim, Germany), , vol. 276, p. 154,162

 Customs

HS Code 2918290000
Summary HS: 2918290000 other carboxylic acids with phenol function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) VAT:17.0% MFN tariff:6.5% General tariff:30.0%

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 Synonyms

Benzoic acid, 4-hydroxy-, 2-methylpropyl ester
EINECS 224-208-8
Isobutyl 4-hydroxybenzoate
Isobutyl paraben
Benzoic acid, 4-hydroxy-, 2-methylpropyl ester (9CI)
2-methylpropyl 4-hydroxybenzoate
MFCD00020167
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