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4191-73-5

4191-73-5 structure
4191-73-5 structure
  • Name: Isopropylparaben
  • Chemical Name: Isopropylparaben
  • CAS Number: 4191-73-5
  • Molecular Formula: C10H12O3
  • Molecular Weight: 180.20
  • Catalog: Chemical reagent Organic reagent Ester Propyl esters
  • Create Date: 2018-04-07 08:00:00
  • Modify Date: 2024-01-09 15:11:22
  • Isopropyl 4-hydroxybenzoate (Isopropylparaben) is an antimicrobial and antioxidant agent[1].

Name Isopropylparaben
Synonyms 1-methylethyl4-hydroxybenzoate
iso-propyl p-hydroxy benzoate
Isopropyl4-hydroxybenzoate
Isopropylparaben
4-hydroxybenzoic acid isopropyl ester
ISOPROPYLPARA-HYDROXYBENZOATE
MFCD00016468
Isopropyl 4-hydroxybenzoate
4-(1-Isopropoxyvinyl)phenol
p-Oxybenzoesaureisopropylester
Benzoic acid, 4-hydroxy-, 1-methylethyl ester (9CI)
EINECS 224-069-3
Benzoic acid, 4-hydroxy-, 1-methylethyl ester
Isopropyl 4-Hydroxubenzoate
Isopropylhydroxybenzoate
isopropyl paraben
Description Isopropyl 4-hydroxybenzoate (Isopropylparaben) is an antimicrobial and antioxidant agent[1].
Related Catalog
References

[1]. Stela Katavic, et al. In vitro assessment of the antioxidative, toxicological and antimicrobial properties of battery of parabens. Drug Chem Toxicol. 2023 Jun 19;1-10.  

Density 1.1±0.1 g/cm3
Boiling Point 286.9±13.0 °C at 760 mmHg
Melting Point 84-86°C
Molecular Formula C10H12O3
Molecular Weight 180.20
Flash Point 120.4±12.6 °C
Exact Mass 180.078644
PSA 46.53000
LogP 2.74
Vapour Pressure 0.0±0.6 mmHg at 25°C
Index of Refraction 1.530
Storage condition 0-6°C

Section I.Chemical Product and Company Identification
Chemical NameIsopropyl 4-Hydroxybenzoate
[for Biochemical Research]
Portland OR
Benzoic acid, 4-hydroxy-, 1-methylethyl ester (CA
Synonym
INDEX NAME);
4-Hydroxybenzoic Acid Isopropyl Ester;
Isopropylparaben
Chemical FormulaC10H12O3
4191-73-5
CAS Number

Section II.Composition and Information on Ingredients
Chemical NameCAS Number Percent (%)TLV/PELToxicology Data
Isopropyl 4-Hydroxybenzoate4191-73-5Min. 99.0 (T) Not available.Mouse LD50 (subcutaneous) 1900
[for Biochemical Research]
mg/kg

Section III. Hazards Identification
Harmful if ingested or inhaled. Minimize exposure to this material. Severe overexposure can result in injury or death.
Acute Health Effects
Irritating 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
Eye ContactCheck for and remove any contact lenses. In case of contact, immediately flush eyes with plenty of water for at least 15
minutes. Get medical attention.
Skin ContactIn case of contact, immediately flush skin with plenty of water. Remove contaminated clothing and shoes. Wash clothing
before reuse. Thoroughly clean shoes before reuse. Get medical attention.
If the victim is not breathing, perform mouth-to-mouth resuscitation. Loosen tight clothing such as a collar, tie, belt or
Inhalation
waistband. If breathing is difficult, oxygen can be administered. Seek medical attention if respiration problems do not
improve.
INDUCE VOMITING by sticking finger in throat. Lower the head so that the vomit will not reenter the mouth and throat.
Ingestion
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
Flash PointsFlammable LimitsNot available.
Not available.
Combustion ProductsThese products are toxic carbon oxides (CO, CO2).
Fire HazardsNot 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 MediaSMALL 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
Isopropyl 4-Hydroxybenzoate
[for Biochemical Research]

Section VI.Accidental Release Measures
Spill CleanupHarmful material. Irritating 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
HARMFUL. IRRITANT. SKIN SENSITIZER. Keep away from heat. Mechanical exhaust required. When not in use, tightly
Handling and Storage
seal the container and store in a dry, cool place. Avoid excessive heat and light. Do not breathe dust.
Information
Always store away from incompatible compounds such as oxidizing agents.

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
Solid. (Powder, flake. White.)Solubility
Physical state @ 20°CSoluble in methanol.
Not available.
Specific Gravity
180.20
Molecular WeightPartition CoefficientLOG Pow: 2.39
Boiling Point160°C (320°F) @ 5 mmHgVapor PressureNot applicable.
86°C (186.8°F)Not available.
Melting PointVapor Density
Refractive IndexNot available.VolatilityNot available.
Not available.Not available.
Critical TemperatureOdor
ViscosityNot available.TasteNot available.

Section X.Stability and Reactivity Data

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

Section XI. Toxicological Information
DH2250000
RTECS Number
Routes of ExposureEye Contact. Ingestion. Inhalation.
Mouse LD50 (subcutaneous) 1900 mg/kg
Toxicity Data
Chronic Toxic 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.
Harmful if ingested or inhaled. Minimize exposure to this material. Severe overexposure can result in injury or death.
Acute Toxic Effects
Irritating 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.
Continued on Next Page
Isopropyl 4-Hydroxybenzoate
[for Biochemical Research]

Section XII.Ecological Information
EcotoxicityNot available.
Not available.
Environmental Fate

Section XIII. Disposal Considerations
Recycle to process, if possible. Consult your local regional authorities. You may be able to dissolve or mix material with a
Waste Disposal
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
Not applicable.
PIN Number
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 ClassificationNot available.
On DSL.
(Canada)
EINECS Number (EEC) 224-069-3
EEC Risk StatementsR20/21/22- Harmful by inhalation, in contact with skin and if swallowed.
R36/37/38- Irritating to eyes, respiratory system and skin.
R43- May cause sensitization by skin contact.


SECTION 16 - ADDITIONAL INFORMATION
N/A

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DH2250000
CHEMICAL NAME :
Benzoic acid, p-hydroxy-, isopropyl ester
CAS REGISTRY NUMBER :
4191-73-5
BEILSTEIN REFERENCE NO. :
2641564
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C10-H12-O3
MOLECULAR WEIGHT :
180.22
WISWESSER LINE NOTATION :
QR DVOY1&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 :
1900 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
Hazard Codes Xi
Risk Phrases R36/37/38
Safety Phrases S26-S36
RTECS DH2250000

~89%

4191-73-5 structure

4191-73-5

Literature: Srinivas; Mahender; Das, Biswanath Synthesis, 2003 , # 16 p. 2479 - 2482

~56%

4191-73-5 structure

4191-73-5

Literature: Caille, Seb; Crockett, Rich; Ranganathan, Krishnakumar; Wang, Xiang; Woo, Jacqueline C. S.; Walker, Shawn D. Journal of Organic Chemistry, 2011 , vol. 76, # 13 p. 5198 - 5206

~83%

4191-73-5 structure

4191-73-5

Literature: Srinivas; Mahender; Das, Biswanath Synthesis, 2003 , # 16 p. 2479 - 2482

~%

4191-73-5 structure

4191-73-5

Literature: Srinivas; Mahender; Das, Biswanath Synthesis, 2003 , # 16 p. 2479 - 2482

~%

4191-73-5 structure

4191-73-5

Literature: Rosenmund et al. Archiv der Pharmazie (Weinheim, Germany), 1953 , vol. 286, p. 324,327