Methyl 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoate

C15H22O3

methyl 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoate

CAS6386-39-6
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
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Identification

CAS Number
6386-39-6
EC Number
403-270-1
UN Number
3082
Index Number
607-211-00-2
PubChem CID
165455

Physical-chemical properties

Molecular Formula
C15H22O3
Molar Mass
250.33 g/mol
IUPAC Name
methyl 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoate

Chemical Identifiers

InChI
InChI=1S/C15H22O3/c1-10-8-11(6-7-13(16)18-5)9-12(14(10)17)15(2,3)4/h8-9,17H,6-7H2,1-5H3
InChI Key
FQCQJBVYSORVEW-UHFFFAOYSA-N

Overview

Methyl 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoate (CAS 6386-39-6) is a phenolic ester compound with antioxidant properties and industrial stabilization applications. This specialized organic compound, also identified by EC number 403-270-1, belongs to the family of substituted phenolic esters characterized by a molecular formula of C15H22O3 and a molecular weight of 250.33 g/mol. The molecule features a distinctive structure combining a phenolic ring system with tert-butyl and methyl substituents, connected to a propanoate ester chain, which contributes to its unique chemical properties and industrial utility. The compound exhibits moderate acute toxicity (Acute Tox. 4) and presents chronic aquatic toxicity concerns (Aquatic Chronic 2), requiring appropriate handling protocols as indicated by the Warning signal word and corresponding GHS07 and GHS09 pictograms. Its ADR classification as Class 9 miscellaneous dangerous goods reflects the need for specialized transport considerations. While structurally distinct from compounds like diethyl 2-[(4-ethoxyanilino)methylidene]propanedioate, both materials share similar ester functionalities that influence their respective industrial applications. The primary industrial applications of methyl 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoate include its use as a chemical intermediate in polymer stabilizer synthesis, where its phenolic structure provides effective antioxidant properties. It serves as a key component in the formulation of specialized additives for plastic and rubber industries, helping prevent degradation during processing and extending product lifespan. Additionally, this compound finds application in the development of high-performance coatings and adhesives where oxidative stability is crucial. OYSI maintains reliable supply chains for this specialized phenolic ester compound, ensuring consistent availability for European industrial customers requiring high-quality chemical intermediates.

Safety & Classification

Warning
Classification:

Acute Tox. 4 *; Aquatic Chronic 2

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H302

Harmful if swallowed.

H411

Toxic to aquatic life with long lasting effects.

Classification according to CLP Regulation (EC) No 1272/2008. The complete list of hazard and precautionary statements can be found in the Safety Data Sheet (SDS).

First Aid Measures

Ingestion

Harmful

Measures if substance is accidentally swallowed

First Aid Actions

  • +P301IF SWALLOWED:
  • +P330Rinse mouth.
  • +P331Do NOT induce vomiting.
  • +P310Immediately call a POISON CENTER/doctor.

Related hazard statements:

General Measures

Emergency 112 | Poison Control: +49 30 19240 (DE), +33 1 45 42 59 59 (FR), +31 30 274 88 88 (NL)

First aid measures are based on CLP classification and associated P-statements. They do not replace the Safety Data Sheet (SDS). In case of emergency, always consult the full SDS and a physician.

Transport (ADR)

UN Number3082
ADR Class9
Packing GroupIII
Tunnel Code-
Proper Shipping NameMethyl-3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propionat
Marine PollutantNo

Frequently Asked Questions

What is methyl 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoate?

Methyl 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoate is an organic chemical compound with the molecular formula C15H22O3 and CAS number 6386-39-6. This substance has a molecular weight of 250.33 g/mol and belongs to the class of phenolic esters. It is classified as having acute toxicity (category 4) and chronic aquatic toxicity (category 2), requiring careful handling and environmental protection measures during use.

What are the physicochemical properties of methyl 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoate?

Methyl 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoate is a compound with molecular formula C15H22O3 and molecular weight 250.33 g/mol. As an organic ester containing phenolic and tert-butyl groups, it typically exists as a solid or viscous liquid at room temperature. The presence of both hydrophobic (tert-butyl, methyl) and hydrophilic (hydroxyl, ester) groups influences its solubility characteristics in various solvents.

What is methyl 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoate used for?

Methyl 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoate is primarily used as an antioxidant in various industrial applications. Its phenolic structure with tert-butyl substitution makes it effective in preventing oxidative degradation in polymers, plastics, and other materials. It may also serve as an intermediate in the synthesis of other antioxidant compounds or specialty chemicals requiring stabilization against oxidative processes.

How to handle methyl 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoate safely?

Methyl 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoate requires careful handling due to its Acute Tox. 4 classification. Essential personal protective equipment includes chemical-resistant gloves, safety goggles, and protective clothing. Work in well-ventilated areas or use local exhaust ventilation to minimize exposure. Avoid skin and eye contact, and prevent inhalation of vapors or dust. Wash hands thoroughly after handling and before eating or drinking.

How to store methyl 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoate correctly?

Methyl 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoate should be stored in tightly sealed containers in a cool, dry, well-ventilated area away from direct sunlight and heat sources. Keep away from incompatible materials such as strong oxidizing agents. Storage areas should be equipped with appropriate spill containment measures due to its aquatic toxicity classification. Maintain proper inventory rotation and ensure containers are properly labeled with hazard information.

What to do in case of contact with methyl 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoate?

In case of skin contact with methyl 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoate, immediately wash the affected area with plenty of water and soap for at least 15 minutes. For eye contact, rinse immediately with clean water for at least 15 minutes. If inhaled, move to fresh air immediately. In case of ingestion, do not induce vomiting and seek medical attention. Remove contaminated clothing and seek medical advice if symptoms persist.

How to dispose of methyl 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoate appropriately?

Methyl 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoate must be disposed of through authorized hazardous waste disposal facilities due to its toxicity classification. Never discharge into sewers, waterways, or soil due to its Aquatic Chronic 2 classification. Collect waste in appropriate containers, clearly labeled with contents and hazard information. Contact licensed waste management companies for proper collection and treatment according to local and European waste regulations.

How to transport methyl 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoate?

Methyl 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoate is classified as ADR Class 9 (Miscellaneous dangerous substances), Packing Group III. Transportation requires appropriate UN-specification packaging with proper marking and labeling including hazard pictograms GHS07 and GHS09. Transport documents must include the correct shipping name, UN number, and hazard class. Ensure vehicles are equipped for hazardous material transport and drivers hold appropriate certifications.

Is methyl 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoate subject to specific regulations?

Methyl 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoate is subject to European REACH and CLP regulations requiring registration, classification, and safety data sheet provision. It carries GHS pictograms GHS07 and GHS09 with 'Warning' signal word. The substance is not currently listed as SVHC (Substance of Very High Concern). Users must comply with occupational exposure limits and environmental protection measures according to national implementations of EU chemical legislation.

Where to buy methyl 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoate in Europe?

Methyl 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoate is available through OYSI, a leading European distributor of specialty chemicals. OYSI provides this compound with full regulatory compliance including safety data sheets, proper labeling, and documentation required under European chemical regulations. As an established chemical distributor, OYSI ensures reliable supply chains and technical support for industrial customers across Europe requiring this antioxidant compound.

Data Sources

Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.